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

General Information of Drug (ID: DME3TMS)

• Drug Name: PMID27774824-Compound-Figure9Example2up Drug Info
• Cross-matching ID: TTD Drug ID: DME3TMS

Molecule-Related Drug Atlas

Drug(s) Targeting Janus kinase 2 (JAK-2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Momelotinib	DMF98Q0	Myelofibrosis	2A20.2	Approved	[2]
Baricitinib	DM4ONW5	Rheumatoid arthritis	FA20	Approved	[3]
Ruxolitinib	DM7Q98D	Essential thrombocythemia	3B63.1Z	Approved	[4]
Pacritinib	DM1T6ZN	Myelofibrosis	2A20.2	Approved	[5]
Fedratinib	DM4ZBK6	Myelofibrosis	2A20.2	Approved	[6]
ITF2357	DMFZBNE	Duchenne dystrophy	8C70	Phase 3	[7]
XL019	DMJ6F5C	Solid tumour/cancer	2A00-2F9Z	Phase 3	[7]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[8]
CTP-543	DM3SYOK	Alopecia	ED70	Phase 2	[9]
INCB039110	DMD9RV3	Malignant neoplasm	2A00-2F9Z	Phase 2	[10]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tofacitinib	DMBS370	Rheumatoid arthritis	FA20	Approved	[11]
Ritlecitinib	DMYKNME	Alopecia areata	ED70.2	Approved	[12]
ASP-015K	DMZ1UOI	Psoriasis vulgaris	EA90	Phase 3	[13]
VX-509	DM2U3MX	Rheumatoid arthritis	FA20	Phase 2/3	[3]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[12]
ATI-501	DMTY6OF	Alopecia	ED70	Phase 2	[14]
ATI-502	DM8NODR	Alopecia	ED70	Phase 2	[15]
TD-8236	DMTOMJN	Asthma	CA23	Phase 2	[16]
ALXN2075	DM1BSD8	Non-hodgkin lymphoma	2B33.5	Phase 1/2	[17]
SNA-125	DM8L1GJ	Atopic dermatitis	EA80	Phase 1	[12]

Drug(s) Targeting Janus kinase 1 (JAK-1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Baricitinib	DM4ONW5	Rheumatoid arthritis	FA20	Approved	[3]
Ruxolitinib	DM7Q98D	Essential thrombocythemia	3B63.1Z	Approved	[4]
Upadacitinib	DM32B5U	Rheumatoid arthritis	FA20	Approved	[18]
ASP-015K	DMZ1UOI	Psoriasis vulgaris	EA90	Phase 3	[19]
SHR0302	DMUL8ZT	Ulcerative colitis	DD71	Phase 3	[20]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[12]
CTP-543	DM3SYOK	Alopecia	ED70	Phase 2	[9]
INCB039110	DMD9RV3	Malignant neoplasm	2A00-2F9Z	Phase 2	[19]
PF-06700841	DMMGSFV	Asthma	CA23	Phase 2	[12]
ATI-501	DMTY6OF	Alopecia	ED70	Phase 2	[14]

Drug(s) Targeting Tyrosine-protein kinase ABL1 (ABL)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ponatinib	DMYGJQO	Acute lymphoblastic leukaemia	2A85	Approved	[11]
Bosutinib	DMTI8YE	Blast phase chronic myelogenous leukemia, BCR-ABL1 positive		Approved	[21]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[22]
Adenosine triphosphate	DM79F6G	Malnutrition	5B50-5B71	Approved	[23]
Saracatinib	DMBLHGP	Hematologic tumour	2B33.Y	Phase 2	[24]
Flumatinib	DM0G5O6	Chronic myelogenous leukaemia	2A20.0	Phase 2	[25]
DCC-2036	DMJKFNU	Chronic myeloid leukaemia	2A20	Phase 1/2	[26]
ISIS-CRP	DMQDUG4	Cardiovascular disease	BA00-BE2Z	Phase 1	[27]
KW-2449	DMFO7RP	Acute myeloid leukaemia	2A60	Phase 1	[28]
IkT-148009	DMMJ9HY	Parkinson disease	8A00.0	Phase 1	[29]

Drug(s) Targeting TYK2 tyrosine kinase (TYK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Deucravacitinib	DMAR1YS	Plaque psoriasis	EA90.0	Approved	[12]
PF-06700841	DMMGSFV	Asthma	CA23	Phase 2	[12]
PF-06826647	DM5H8V1	Plaque psoriasis	EA90.0	Phase 2	[12]
PF-06826647	DM5H8V1	Plaque psoriasis	EA90.0	Phase 2	[30]
NDI-034858	DM2FJE7	Psoriatic arthritis	FA21	Phase 2	[31]
Pyrazolo[4,3-c]pyridine derivative 2	DMCDFLQ	N. A.	N. A.	Patented	[1]
PMID27774824-Compound-Figure9Example2down	DMXAV42	N. A.	N. A.	Patented	[1]
Aminotriazolopyridine derivative 1	DMW2LZ0	N. A.	N. A.	Patented	[1]
Imidazo[4,5-c]pyridine derivative 2	DMFDRJT	N. A.	N. A.	Patented	[1]
PMID27774824-Compound-Figure11Example1up	DMH1W8F	N. A.	N. A.	Patented	[1]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Janus kinase 1 (JAK-1)	TT6DM01	JAK1_HUMAN	Inhibitor	[1]
Janus kinase 2 (JAK-2)	TTRMX3V	JAK2_HUMAN	Inhibitor	[1]
Janus kinase 3 (JAK-3)	TTT7PJU	JAK3_HUMAN	Inhibitor	[1]
TYK2 tyrosine kinase (TYK2)	TTBYWP2	TYK2_HUMAN	Inhibitor	[1]
Tyrosine-protein kinase ABL1 (ABL)	TT3PJMV	ABL1_HUMAN	Inhibitor	[1]

References

• [1] 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.
• [2] Genetic determinants of response and survival in momelotinib-treated patients with myelofibrosis.Leukemia.2015 Mar;29(3):741-4.
• [3] Selective JAK inhibitors in development for rheumatoid arthritis. Expert Opin Investig Drugs. 2014 Aug;23(8):1067-77.
• [4] 2011 FDA drug approvals. Nat Rev Drug Discov. 2012 Feb 1;11(2):91-4.
• [5] National Cancer Institute Drug Dictionary (drug id 609888).
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [7] Emerging drugs for the therapy of primary and post essential thrombocythemia, post polycythemia vera myelofibrosis. Expert Opin Emerg Drugs. 2009 Sep;14(3):471-9.
• [8] Company report (Portola Pharmaceuticals)
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] 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: 2048).
• [11] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [12] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [13] 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).
• [14] Clinical pipeline report, company report or official report of Aclaris Therapeutics.
• [15] 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.
• [16] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2023. Adis Insight
• [17] The Dual Syk/JAK Inhibitor Cerdulatinib Antagonizes B-cell Receptor and Microenvironmental Signaling in Chronic Lymphocytic Leukemia. Clin Cancer Res. 2017 May 1;23(9):2313-2324.
• [18] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [19] 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: 2047).
• [20] Efficacy and Safety of SHR0302, a Highly Selective Janus Kinase 1 Inhibitor, in Patients with Moderate to Severe Atopic Dermatitis: A Phase II Randomized Clinical Trial. Am J Clin Dermatol. 2021 Nov;22(6):877-889.
• [21] 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.
• [22] 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.
• [23] Targeted chronic myeloid leukemia therapy: Seeking a cure. Am J Health Syst Pharm. 2007 Dec 15;64(24 Suppl 15):S9-15.
• [24] Novel dual Src/Abl inhibitors for hematologic and solid malignancies.Expert Opin Investig Drugs.2010 Aug;19(8):931-45.
• [25] Flumatinib, a selective inhibitor of BCR-ABL/PDGFR/KIT, effectively overcomes drug resistance of certain KIT mutants. Cancer Sci. 2014 Jan;105(1):117-25.
• [26] Company report (Deciphera Pharmaceuticals: Tumor-Targeted Programs and Indications)
• [27] Structure-based optimization of pyrazolo[3,4-d]pyrimidines as Abl inhibitors and antiproliferative agents toward human leukemia cell lines. J Med Chem. 2008 Mar 13;51(5):1252-9.
• [28] KW-2449, a novel multikinase inhibitor, suppresses the growth of leukemia cells with FLT3 mutations or T315I-mutated BCR/ABL translocation. Blood. 2009 Aug 20;114(8):1607-17.
• [29] The c-Abl inhibitor IkT-148009 suppresses neurodegeneration in mouse models of heritable and sporadic Parkinson's disease. Sci Transl Med. 2023 Jan 18;15(679):eabp9352.
• [30] Discovery of Tyrosine Kinase 2 (TYK2) Inhibitor (PF-06826647) for the Treatment of Autoimmune Diseases. J Med Chem. 2020 Nov 25;63(22):13561-13577.
• [31] Clinical pipeline report, company report or official report of Nimbus Therapeutics