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

General Information of Drug (ID: DMUFVM6)

• Drug Name: N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide Drug Info
• Synonyms: N-(4-amino-5-cyano-6-phenylpyridin-2-yl)acetamide; Kinome_3019; CHEMBL210032; SCHEMBL1145340; BDBM15968; Aminopyridine-Based Inhibitor 24

Indication

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

• Cross-matching ID:
  PubChem CID: 11658882
  TTD Drug ID: DMUFVM6

Molecule-Related Drug Atlas

Drug(s) Targeting Stress-activated protein kinase JNK3 (JNK3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[2]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[2]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-J2	DMZSOCK	N. A.	N. A.	Patented	[2]
7-azaindole derivative 3	DMQ7BV4	N. A.	N. A.	Patented	[2]

Drug(s) Targeting JNK2 messenger RNA (JNK2 mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
AS-601245	DMQ95EB	Discovery agent	N.A.	Investigative	[3]
Aminopyridine deriv. 2	DM94KQP	Discovery agent	N.A.	Investigative	[1]
IN-1166	DMMS6D3	Discovery agent	N.A.	Investigative	[4]
N-(4-amino-5-cyano-6-ethoxypyridin-2-yl)acetamide	DMY1FMG	Discovery agent	N.A.	Investigative	[1]
JNK-IN-8	DMLWYJB	Discovery agent	N.A.	Investigative	[5]
N-(4-amino-6-butoxy-5-cyanopyridin-2-yl)acetamide	DMSAD87	Discovery agent	N.A.	Investigative	[1]
AC1LG8KT	DMFKV97	Discovery agent	N.A.	Investigative	[6]
ISIS 18078	DMHZPJ0	Solid tumour/cancer	2A00-2F9Z	Investigative	[7]

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	[8]
PMID25991433-Compound-A1	DM89LF0	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[2]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[2]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[2]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[2]

Drug(s) Targeting Cyclin-dependent kinase 2 (CDK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[9]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[10]
PHA848125	DMS2Q9G	Thymic cancer	2C27	Phase 2	[11]
TG02	DMZFIGQ	Anaplastic astrocytoma	2A00.0	Phase 1/2	[12]
NUV-422	DMQJQNT	Malignant glioma	2A00.0	Phase 1/2	[13]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[14]
FN-1501	DM7BMD6	Solid tumour/cancer	2A00-2F9Z	Phase 1	[15]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[16]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[17]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
5-Bromo-6-methoxy-9H-beta-carboline	DM157OQ	Discovery agent	N.A.	Investigative	[18]
ISIS 23559	DM7NKRO	Discovery agent	N.A.	Investigative	[19]
ISIS 23544	DMDHY37	Discovery agent	N.A.	Investigative	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[1]
IKKA messenger RNA (IKKA mRNA)	TT1F8OQ	IKKA_HUMAN	Inhibitor	[1]
JNK2 messenger RNA (JNK2 mRNA)	TT3IVG2	MK09_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

References

• [1] Aminopyridine-based c-Jun N-terminal kinase inhibitors with cellular activity and minimal cross-kinase activity. J Med Chem. 2006 Jun 15;49(12):3563-80.
• [2] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
• [3] The selectivity of protein kinase inhibitors: a further update. Biochem J. 2007 Dec 15;408(3):297-315.
• [4] Synthesis and biological evaluation of 4(5)-(6-alkylpyridin-2-yl)imidazoles as transforming growth factor-beta type 1 receptor kinase inhibitors. J Med Chem. 2007 Jun 28;50(13):3143-7.
• [5] Discovery of potent and selective covalent inhibitors of JNK. Chem Biol. 2012 Jan 27;19(1):140-54.
• [6] N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3. Bioorg Med Chem Lett. 2007 Mar 1;17(5):1296-301.
• [7] US patent application no. 7,425,545, Modulation of C-reactive protein expression.
• [8] 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).
• [9] Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
• [10] 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.
• [11] Identification of N,1,4,4-tetramethyl-8-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide (PHA-848125), a potent, orally available cyclin dependent kinase inhibitor. J Med Chem. 2009 Aug 27;52(16):5152-63.
• [12] Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6(1):33-42.
• [13] ClinicalTrials.gov (NCT04541225) Phase 1/2 Dose Escalation, Safety, Pharmacokinetics, and Efficacy Study of NUV-422 in Adults With Recurrent or Refractory High-grade Gliomas and Solid Tumors. U.S.National Institutes of Health.
• [14] Small-molecule multi-targeted kinase inhibitor RGB-286638 triggers P53-dependent and -independent anti-multiple myeloma activity through inhibition of transcriptional CDKs. Leukemia. 2013 Dec;27(12):2366-75.
• [15] Discovery of 4-((7H-Pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-1H-pyrazole-3-carboxamide (FN-1501), an FLT3- and CDK-Kinase Inhibitor with Potentially High Efficiency against Acute Myelocytic Leukemia. J Med Chem. 2018 Feb 22;61(4):1499-1518.
• [16] A first in man, phase I dose-escalation study of PHA-793887, an inhibitor of multiple cyclin-dependent kinases (CDK2, 1 and 4) reveals unexpected h... Cell Cycle. 2011 Mar 15;10(6):963-70.
• [17] Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.
• [18] Novel IKK inhibitors: beta-carbolines. Bioorg Med Chem Lett. 2003 Jul 21;13(14):2419-22.
• [19] US patent application no. 6,395,545, Antisense modulation of inhibitor-kappa B kinase-alpha expression.