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

General Information of Drug (ID: DMS8H5Q)

• Drug Name: NM-PP1 Drug Info
• Synonyms: 1-NM-PP1; 221244-14-0; PP1 Analog II, 1NM-PP1; 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; NM-PP1; Mutant Kinases Inhibitor II; 1NM-PP1(PP1 Analog II); AC1NP9I6; CHEMBL573578; 1 NM-PP1; CHEBI:52309; 4-Amino-1-tert-butyl-3-(1'-naphthylmethyl)pyrazolo[3,4-d]pyrimidine; 1-(tert-butyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; MMV676599; 1-(1,1-dimethylethyl)-3-(1-naphthalenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; W-201917; C20H21N5

Indication

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

• Cross-matching ID:
  PubChem CID: 5154691
  ChEBI ID: CHEBI:52309
  CAS Number: CAS 221244-14-0
  TTD Drug ID: DMS8H5Q

Molecule-Related Drug Atlas

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		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	[2]
RO-316233	DMAGLPW	Discovery agent	N.A.	Investigative	[5]
Bisindolylmaleimide-I	DMOQJZC	Discovery agent	N.A.	Investigative	[5]
4,5,6,7-tetrabromo-1H-benzo[d][1,2,3]triazole	DMN9YOB	Discovery agent	N.A.	Investigative	[6]
CI-1040	DMF3DZX	Discovery agent	N.A.	Investigative	[5]
AMP-PNP	DMTOK1D	Discovery agent	N.A.	Investigative	[7]
BMS-536924	DMXJB4N	Discovery agent	N.A.	Investigative	[8]

Drug(s) Targeting PRKACA messenger RNA (PRKACA mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VFEDEOUBYBLDKN-AAFJCEBUSA-N	DMH9ION	N. A.	N. A.	Patented	[9]
XHPNYYOUZWOWNT-PYUWXLGESA-N	DM5Q93Y	N. A.	N. A.	Patented	[9]
AGGGWZCOULSEER-PYUWXLGESA-N	DM2L83Y	N. A.	N. A.	Patented	[9]
BALANOL	DMDLN9E	N. A.	N. A.	Terminated	[10]
4-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenol	DMSKJ1X	Discovery agent	N.A.	Investigative	[11]
Ro-4396686	DM5DMCH	Discovery agent	N.A.	Investigative	[12]
ISIS 102633	DMWT7BK	Discovery agent	N.A.	Investigative	[13]
ISIS 102604	DMZ6X9B	Discovery agent	N.A.	Investigative	[13]
ISIS 102619	DMXH9IT	Discovery agent	N.A.	Investigative	[13]
ISIS 102462	DMXNC0B	Discovery agent	N.A.	Investigative	[13]

Drug(s) Targeting Stress-activated protein kinase JNK1 (JNK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
NKP-1339	DM5AWK1	Solid tumour/cancer	2A00-2F9Z	Phase 1	[14]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[15]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[15]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[15]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[15]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dasatinib	DMJV2EK	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[3]
Bosutinib	DMTI8YE	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[3]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[16]
Herbimycin A	DM6YWBF	Solid tumour/cancer	2A00-2F9Z	Approved	[17]
AL3818	DM3WP0N	Alveolar soft part sarcoma	2A60-2C35	Phase 3	[18]
CP-868596	DMZIM37	Gastrointestinal cancer	2C11	Phase 3	[18]
Masitinib	DMRSNEU	Amyotrophic lateral sclerosis	8B60.0	Phase 3	[19]
KX-01	DMF0NA9	Actinic keratosis	EK90.0	Phase 3	[20]
Saracatinib	DMBLHGP	Hematologic tumour	2B33.Y	Phase 2	[21]
TPX-0046	DMIVE67	Solid tumour/cancer	2A00-2F9Z	Phase 1/2	[22]

Drug(s) Targeting RIP2 messenger RNA (RIP2 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ISIS-CRP	DMQDUG4	Cardiovascular disease	BA00-BE2Z	Phase 1	[2]
ISIS 104258	DMUC3L0	Discovery agent	N.A.	Investigative	[23]
ISIS 104254	DMDEI9X	Discovery agent	N.A.	Investigative	[23]
ISIS 104211	DMPKQ61	Discovery agent	N.A.	Investigative	[23]
ISIS 104257	DMSDCGV	Discovery agent	N.A.	Investigative	[23]
ISIS 104256	DMHUX9A	Discovery agent	N.A.	Investigative	[23]
ISIS 104255	DMAI5B8	Discovery agent	N.A.	Investigative	[23]
ISIS 104253	DMME8JP	Discovery agent	N.A.	Investigative	[23]
Src kinase inhibitor I	DMUZP9V	Discovery agent	N.A.	Investigative	[2]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
LCK tyrosine protein kinase (LCK)	TT860QF	LCK_HUMAN	Inhibitor	[2]
PRKACA messenger RNA (PRKACA mRNA)	TT5U49F	KAPCA_HUMAN	Inhibitor	[2]
Proto-oncogene c-Src (SRC)	TT6PKBN	SRC_HUMAN	Inhibitor	[2]
RIP2 messenger RNA (RIP2 mRNA)	TTCQ2E5	RIPK2_HUMAN	Inhibitor	[2]
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_HUMAN	Inhibitor	[2]

References

• [1] 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. (Ligand id: 6028).
• [2] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [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] Specificity and mechanism of action of some commonly used protein kinase inhibitors. Biochem J. 2000 Oct 1;351(Pt 1):95-105.
• [6] Optimization of protein kinase CK2 inhibitors derived from 4,5,6,7-tetrabromobenzimidazole. J Med Chem. 2004 Dec 2;47(25):6239-47.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] 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.
• [9] Purine derivatives. US8846696.
• [10] Joys of molecules. 2. Endeavors in chemical biology and medicinal chemistry. J Med Chem. 2005 Sep 8;48(18):5613-38. Address
• [11] 4-arylazo-3,5-diamino-1H-pyrazole CDK inhibitors: SAR study, crystal structure in complex with CDK2, selectivity, and cellular effects. J Med Chem. 2006 Nov 2;49(22):6500-9.
• [12] Biological evaluation of a multi-targeted small molecule inhibitor of tumor-induced angiogenesis. Bioorg Med Chem Lett. 2006 Apr 1;16(7):1950-3.
• [13] US patent application no. 6,248,586, Antisense modulation of PKA catalytic subunit C-alpha expression.
• [14] 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: 1496).
• [15] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
• [16] 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.
• [17] 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.
• [18] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [19] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [20] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [21] Novel dual Src/Abl inhibitors for hematologic and solid malignancies.Expert Opin Investig Drugs.2010 Aug;19(8):931-45.
• [22] Clinical pipeline report, company report or official report of Turning Point Therapeutics.
• [23] US patent application no. 6,426,221, Antisense modulation of RIP2 expression.