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

General Information of Drug (ID: DMYHWS1)

• Drug Name: WHI-P154 Drug Info

Indication

Disease Entry	ICD 11	Status	REF
Diffuse large B-cell lymphoma	2A81	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 3795
  CAS Number: CAS 211555-04-3
  TTD Drug ID: DMYHWS1

Molecule-Related Drug Atlas

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

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]
Fedratinib	DM4ZBK6	Myelofibrosis	2A20.2	Approved	[5]
Momelotinib	DMF98Q0	Myelofibrosis	2A20.2	Phase 3	[6]
ITF2357	DMFZBNE	Duchenne dystrophy	8C70	Phase 3	[7]
Pacritinib	DM1T6ZN	Myelofibrosis	2A20.2	Phase 3	[8]
XL019	DMJ6F5C	Solid tumour/cancer	2A00-2F9Z	Phase 3	[7]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[9]
CTP-543	DM3SYOK	Asthma	CA23	Phase 2	[10]
INCB039110	DMD9RV3	Malignant neoplasm	2A00-2F9Z	Phase 2	[11]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tofacitinib	DMBS370	Rheumatoid arthritis	FA20	Approved	[12]
Asp-015K	DMZ1UOI	Psoriasis vulgaris	EA90	Phase 3	[13]
PF-06651600	DMYKNME	Alopecia	ED70	Phase 2/3	[14]
VX-509	DM2U3MX	Rheumatoid arthritis	FA20	Phase 2/3	[3]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[14]
ATI-501	DMTY6OF	Alopecia	ED70	Phase 2	[15]
ATI-502	DM8NODR	Alopecia	ED70	Phase 2	[16]
SNA-125	DM8L1GJ	Atopic dermatitis	EA80	Phase 1	[14]
Pyrazolo[4,3-c]pyridine derivative 2	DMCDFLQ	N. A.	N. A.	Patented	[17]
PMID27774824-Compound-Figure9Example2down	DMXAV42	N. A.	N. A.	Patented	[17]

Drug(s) Targeting Epidermal growth factor receptor (EGFR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sorafenib	DMS8IFC	Hepatocellular carcinoma	2C12.02	Approved	[18]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[19]
Gefitinib	DM15F0X	Solid tumour/cancer	2A00-2F9Z	Approved	[20]
Erlotinib	DMCMBHA	Non-small-cell lung cancer	2C25.Y	Approved	[21]
Vandetanib	DMRICNP	Solid tumour/cancer	2A00-2F9Z	Approved	[22]
Dacomitinib	DMOH8VY	Non-small-cell lung cancer	2C25.Y	Approved	[23]
BIBW 2992	DMTKD7Q	Non-small-cell lung cancer	2C25.Y	Approved	[24]
SKI-758	DMQ8E9R	Ischemia	8B10-8B11	Approved	[25]
Epidermal growth factor	DMVONE6	Vulnerary	ND56.Z	Approved	[23]
Merimepodib	DM0HS92	Breast cancer	2C60-2C65	Approved	[26]

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	[27]
Asp-015K	DMZ1UOI	Psoriasis vulgaris	EA90	Phase 3	[28]
Cerdulatinib	DMSCR2H	B-cell lymphoma	2A86	Phase 2	[14]
CTP-543	DM3SYOK	Asthma	CA23	Phase 2	[10]
INCB039110	DMD9RV3	Malignant neoplasm	2A00-2F9Z	Phase 2	[28]
PF-06700841	DMMGSFV	Asthma	CA23	Phase 2	[14]
ATI-501	DMTY6OF	Alopecia	ED70	Phase 2	[15]
ATI-502	DM8NODR	Alopecia	ED70	Phase 2	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Epidermal growth factor receptor (EGFR)	TTGKNB4	EGFR_HUMAN	Inhibitor	[2]
Janus kinase 1 (JAK-1)	TT6DM01	JAK1_HUMAN	Inhibitor	[2]
Janus kinase 2 (JAK-2)	TTRMX3V	JAK2_HUMAN	Inhibitor	[2]
Janus kinase 3 (JAK-3)	TTT7PJU	JAK3_HUMAN	Inhibitor	[2]

References

• [1] The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.
• [2] The specificity of JAK3 kinase inhibitors. Blood. 2008 Feb 15;111(4):2155-7.
• [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] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [6] Genetic determinants of response and survival in momelotinib-treated patients with myelofibrosis.Leukemia.2015 Mar;29(3):741-4.
• [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] National Cancer Institute Drug Dictionary (drug id 609888).
• [9] Company report (Portola Pharmaceuticals)
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] 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).
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [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 the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [15] Clinical pipeline report, company report or official report of Aclaris Therapeutics.
• [16] 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.
• [17] 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.
• [18] Nasopharyngeal carcinoma: Current treatment options and future directions. J Nasopharyng Carcinoma, 2014, 1(16): e16.
• [19] Triple negative breast cancer--current status and prospective targeted treatment based on HER1 (EGFR), TOP2A and C-MYC gene assessment. Biomed Pap Med Fac Univ Palacky Olomouc Czech Repub. 2009 Mar;153(1):13-7.
• [20] Gefitinib ('Iressa', ZD1839) and new epidermal growth factor receptor inhibitors. Br J Cancer. 2004 Feb 9;90(3):566-72.
• [21] Quantitative prediction of fold resistance for inhibitors of EGFR. Biochemistry. 2009 Sep 8;48(35):8435-48.
• [22] 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.
• [23] 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: 1797).
• [24] Boehringer Ingelheim. Product Development Pipeline. June 2 2009.
• [25] 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.
• [26] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [27] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [28] 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).