Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMOPUIH)

• Drug Name: PMID15546730C2 Drug Info
• Synonyms: UNII-N9PH4O199D; N9PH4O199D; GTPL8136; BDBM13268

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1] , [2]

• Cross-matching ID:
  PubChem CID: 11153014
  CAS Number: CAS 302961-18-8
  TTD Drug ID: DMOPUIH

Molecule-Related Drug Atlas

Drug(s) Targeting LCK tyrosine protein kinase (LCK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dasatinib	DMJV2EK	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
VX-680	DM93YKJ	Solid tumour/cancer	2A00-2F9Z	Phase 2	[3]
JNJ-26483327	DMSQ3AZ	Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
ISIS-CRP	DMQDUG4	Cardiovascular disease	BA00-BE2Z	Phase 1	[5]
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[6]
Bisindolylmaleimide-I	DMOQJZC	Discovery agent	N.A.	Investigative	[6]
4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole	DMN9YOB	Discovery agent	N.A.	Investigative	[7]
CI-1040	DMF3DZX	Discovery agent	N.A.	Investigative	[6]
AMP-PNP	DMTOK1D	Discovery agent	N.A.	Investigative	[8]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Fyn tyrosine protein kinase (FYN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dasatinib	DMJV2EK	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
JNJ-26483327	DMSQ3AZ	Solid tumour/cancer	2A00-2F9Z	Phase 1	[10]
Ro-4396686	DM5DMCH	Discovery agent	N.A.	Investigative	[11]
CEP-5104	DMV43GY	Discovery agent	N.A.	Investigative	[12]
CEP-6331	DMNXBTD	Discovery agent	N.A.	Investigative	[12]
JNJ-10198409	DM9GDP5	Discovery agent	N.A.	Investigative	[13]
1-Methoxy-2-[2-(2-Methoxy-Ethoxy]-Ethane	DMD7WNV	Discovery agent	N.A.	Investigative	[14]

Drug(s) Targeting Janus kinase 3 (JAK-3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tofacitinib	DMBS370	Rheumatoid arthritis	FA20	Approved	[15]
Asp-015K	DMZ1UOI	Psoriasis vulgaris	EA90	Phase 3	[16]
PF-06651600	DMYKNME	Alopecia	ED70	Phase 2/3	[17]
VX-509	DM2U3MX	Rheumatoid arthritis	FA20	Phase 2/3	[18]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[17]
ATI-501	DMTY6OF	Alopecia	ED70	Phase 2	[19]
ATI-502	DM8NODR	Alopecia	ED70	Phase 2	[20]
SNA-125	DM8L1GJ	Atopic dermatitis	EA80	Phase 1	[17]
Pyrazolo[4,3-c]pyridine derivative 2	DMCDFLQ	N. A.	N. A.	Patented	[21]
PMID27774824-Compound-Figure9Example2down	DMXAV42	N. A.	N. A.	Patented	[21]

Drug(s) Targeting Hematopoietic cell kinase (HCK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
BK3	DM6YQO3	N. A.	N. A.	Patented	[22]
Doramapimod	DM6BU7N	Inflammatory bowel disease	DD72	Patented	[23]
3-(6-allyloxy-2-naphthyl)-1-(4-piperidylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine	DM0DYAU	N. A.	N. A.	Patented	[22]
Unii-I92MU0V408	DMUD7H8	N. A.	N. A.	Patented	[23]
US8933228, 3	DMPNCOL	N. A.	N. A.	Patented	[23]
SB19065	DM2MQD0	N. A.	N. A.	Patented	[24]
US9108950, 1	DMPT2ZS	N. A.	N. A.	Patented	[25]
US8933228, Ref 2	DMKEX51	N. A.	N. A.	Patented	[26]
BK7	DMQD4X2	N. A.	N. A.	Patented	[22]
PP121	DMU8KTO	Discovery agent	N.A.	Investigative	[27]

Drug(s) Targeting Tyrosine-protein kinase Fgr (FGR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID24900538C2c	DM5PATM	Discovery agent	N.A.	Investigative	[28]

Drug(s) Targeting B lymphocyte kinase (BLK)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Pyrazolo[4,3-c]pyridine derivative 2	DMCDFLQ	N. A.	N. A.	Patented	[21]
PMID24915291C38	DMBXT9J	Discovery agent	N.A.	Investigative	[29]
PMID24915291C31	DMN7QB8	Discovery agent	N.A.	Investigative	[29]

Drug(s) Targeting Proto-oncogene c-Src (SRC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dasatinib	DMJV2EK	Chronic myelogenous leukaemia	2A20.0	Approved	[3]
Bosutinib	DMTI8YE	Breast cancer	2C60-2C65	Approved	[3]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[30]
Herbimycin A	DM6YWBF	Solid tumour/cancer	2A00-2F9Z	Approved	[31]
Al3818	DM3WP0N	Alveolar soft part sarcoma	2A60-2C35	Phase 3	[32]
CP-868596	DMZIM37	Gastrointestinal cancer	2C11	Phase 3	[32]
Masitinib	DMRSNEU	Amyotrophic lateral sclerosis	8B60.0	Phase 3	[33]
KX-01	DMF0NA9	Actinic keratosis	EK90.0	Phase 3	[17]
Saracatinib	DMBLHGP	Hematologic tumour	2B33.Y	Phase 2	[34]
TPX-0046	DMIVE67	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[35]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
B lymphocyte kinase (BLK)	TTNDSC3	BLK_HUMAN	Inhibitor	[2]
Fyn tyrosine protein kinase (FYN)	TT2B9KF	FYN_HUMAN	Inhibitor	[2]
Hematopoietic cell kinase (HCK)	TT42OGM	HCK_HUMAN	Inhibitor	[2]
Janus kinase 3 (JAK-3)	TTT7PJU	JAK3_HUMAN	Inhibitor	[2]
LCK tyrosine protein kinase (LCK)	TT860QF	LCK_HUMAN	Inhibitor	[2]
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_HUMAN	Inhibitor	[2]
Tyrosine-protein kinase Fgr (FGR)	TTPOGS1	FGR_HUMAN	Inhibitor	[2]

References

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• [2] Discovery of novel 2-(aminoheteroaryl)-thiazole-5-carboxamides as potent and orally active Src-family kinase p56(Lck) inhibitors. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6061-6.
• [3] A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
• [4] National Cancer Institute Drug Dictionary (drug id 596693).
• [5] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [6] Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J. 2000 Oct 1;351(Pt 1):95-105.
• [7] Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole. J Med Chem. 2004 Dec 2;47(25):6239-47.
• [8] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [9] Discovery of a (1H-benzoimidazol-2-yl)-1H-pyridin-2-one (BMS-536924) inhibitor of insulin-like growth factor I receptor kinase with in vivo antitum... J Med Chem. 2005 Sep 8;48(18):5639-43.
• [10] National Cancer Institute Drug Dictionary (drug id 596693).
• [11] Biological evaluation of a multi-targeted small molecule inhibitor of tumor-induced angiogenesis. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1950-3.
• [12] Mixed-lineage kinase 1 and mixed-lineage kinase 3 subtype-selective dihydronaphthyl[3,4-a]pyrrolo[3,4-c]carbazole-5-ones: optimization, mixed-linea... J Med Chem. 2008 Sep 25;51(18):5680-9.
• [13] (6,7-Dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamines: platelet-derived growth factor receptor tyrosine kinase inhibitors with broad ant... J Med Chem. 2005 Dec 29;48(26):8163-73.
• [14] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [15] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [16] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2049).
• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [18] Selective JAK inhibitors in development for rheumatoid arthritis. Expert Opin Investig Drugs. 2014 Aug;23(8):1067-77.
• [19] Clinical pipeline report, company report or official report of Aclaris Therapeutics.
• [20] ClinicalTrials.gov (NCT03759340) ATI-502 Topical Solution for the Treatment of Alopecia Areata (AA), Alopecia Universalis (AU) and Alopecia Totalis (AT). U.S. National Institutes of Health.
• [21] Inhibitors of JAK-family kinases: an update on the patent literature 2013-2015, part 1.Expert Opin Ther Pat. 2017 Feb;27(2):127-143.
• [22] Compositions and methods for treating toxoplasmosis, cryptosporidiosis, and other apicomplexan protozoan related diseases. US9765037.
• [23] Respiratory formulations and compounds for use therein. US8933228.
• [24] Anti-inflammatory compound having inhibitory activity against multiple tyrosine kinases and pharmaceutical composition containing same. US9062066.
• [25] 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as p38 MAP kinase inhibitors. US9108950.
• [26] 1-pyrazolyl-3-(4-((2-anilinopyrimidin-4-yl)oxy)napththalen-1-yl) ureas as P38 MAP knase inhibitors. US9724347.
• [27] Targeted polypharmacology: discovery of dual inhibitors of tyrosine and phosphoinositide kinases. Nat Chem Biol. 2008 Nov;4(11):691-9.
• [28] Discovery of Disubstituted Imidazo[4,5-b]pyridines and Purines as Potent TrkA Inhibitors. ACS Med Chem Lett. 2012 Jul 26;3(9):705-9.
• [29] Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity. J Med Chem. 2014 Jun 26;57(12):5112-28.
• [30] Synthesis and Src kinase inhibitory activity of a series of 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-furyl-3-quinolinecarbonitriles. J Med Chem. 2006 Dec 28;49(26):7868-76.
• [31] In vivo antitumor activity of herbimycin A, a tyrosine kinase inhibitor, targeted against BCR/ABL oncoprotein in mice bearing BCR/ABL-transfected cells. Leuk Res. 1994 Nov;18(11):867-73.
• [32] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [33] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [34] Novel dual Src/Abl inhibitors for hematologic and solid malignancies.Expert Opin Investig Drugs.2010 Aug;19(8):931-45.
• [35] Clinical pipeline report, company report or official report of Turning Point Therapeutics.