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

General Information of Drug (ID: DM89LF0)

• Drug Name: PMID25991433-Compound-A1 Drug Info
• Cross-matching ID: TTD Drug ID: DM89LF0

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-F2	DM37VIQ	N. A.	N. A.	Patented	[1]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[1]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J2	DMZSOCK	N. A.	N. A.	Patented	[1]
7-azaindole derivative 3	DMQ7BV4	N. A.	N. A.	Patented	[1]
7-azaindole derivative 2	DMZRM2Q	N. A.	N. A.	Patented	[1]

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	[2]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[1]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[1]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J2	DMZSOCK	N. A.	N. A.	Patented	[1]

Drug(s) Targeting Cyclin-dependent kinase 1 (CDK1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
R-roscovitine	DMSH108	Non-small-cell lung cancer	2C25.Y	Phase 2	[3]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[4]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[3]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[5]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[6]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
Oxazolyl methylthiothiazole derivative 1	DMZM6FW	N. A.	N. A.	Patented	[8]
KENPAULLONE	DMAGVXW	Discovery agent	N.A.	Patented	[9]
Roscovitine derivative 1	DMD1G3Z	N. A.	N. A.	Patented	[8]

Drug(s) Targeting Stress-activated protein kinase 2a (p38 alpha)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Ozagrel	DMIGKA1	Xerophthalmia	5B55.Y	Phase 4	[10]
Losmapimod	DMIL37Z	Acute coronary syndrome	BA41	Phase 3	[10]
VX-702	DMKJDR6	Coronary artery disease	BA80	Phase 2a	[11]
VX-745	DMJAEG6	Alzheimer disease	8A20	Phase 2	[12]
Dilmapimod	DMBYJ92	Acute lung injury	NB32.3	Phase 2	[10]
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-L2	DM58UO9	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-L3	DM3LWUR	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-L1	DM2135Y	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-O2	DMTROIQ	N. A.	N. A.	Patented	[1]

Drug(s) Targeting Stress-activated protein kinase JNK2 (JNK2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PMID25991433-Compound-F2	DM37VIQ	N. A.	N. A.	Patented	[1]
7-azaindole derivative 1	DMQL5B7	N. A.	N. A.	Patented	[1]
7-azaindole derivative 5	DMV3H98	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P6	DMNDVC9	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J3	DM17P3F	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-P1	DMD8AX6	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-O3	DMVOWS5	N. A.	N. A.	Patented	[1]
PMID25991433-Compound-J2	DMZSOCK	N. A.	N. A.	Patented	[1]
7-azaindole derivative 3	DMQ7BV4	N. A.	N. A.	Patented	[1]
7-azaindole derivative 2	DMZRM2Q	N. A.	N. A.	Patented	[1]

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	[3]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[4]
PHA848125	DMS2Q9G	Thymic cancer	2C27	Phase 2	[13]
TG02	DMZFIGQ	Anaplastic astrocytoma	2A00.0	Phase 1/2	[14]
RGB-286638	DMEGOQP	Haematological malignancy	2B33.Y	Phase 1	[6]
FN-1501	DM7BMD6	Solid tumour/cancer	2A00-2F9Z	Phase 1	[15]
AG-024322	DMY4WVK	Solid tumour/cancer	2A00-2F9Z	Phase 1	[3]
PHA-793887	DM2Y4FG	Solid tumour/cancer	2A00-2F9Z	Phase 1	[7]
SNS-032	DMEITAS	Solid tumour/cancer	2A00-2F9Z	Phase 1	[16]
CYC065	DM9ODT6	Lymphoma	2A80-2A86	Phase 1	[17]

Drug(s) Targeting Cyclin-dependent kinase 4 (CDK4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Apremilast	DMTWS9E	Psoriasis vulgaris	EA90	Approved	[18]
LY2835219	DM93VBZ	Breast cancer	2C60-2C65	Approved	[19]
Palbociclib	DMD7L94	Breast cancer	2C60-2C65	Approved	[20]
Ribociclib succinate	DM9CIUW	Breast cancer	2C60-2C65	Approved	[21]
Trilaciclib	DMP5A4T	Small-cell lung cancer	2C25.Y	Approved	[22]
LEE011	DMMX75K	Breast cancer	2C60-2C65	Phase 3	[23]
Ro 31-7453	DM83QCL	Solid tumour/cancer	2A00-2F9Z	Phase 2	[4]
P276-00	DM9DJL2	Mantle cell lymphoma	2A85.5	Phase 2	[3]
P-276	DMMJUHD	Breast cancer	2C60-2C65	Phase 2	[24]
G1T38	DMQO2IT	Breast cancer	2C60-2C65	Phase 2	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cyclin-dependent kinase 1 (CDK1)	TTH6V3D	CDK1_HUMAN	Inhibitor	[1]
Cyclin-dependent kinase 2 (CDK2)	TT7HF4W	CDK2_HUMAN	Inhibitor	[1]
Cyclin-dependent kinase 4 (CDK4)	TT0PG8F	CDK4_HUMAN	Inhibitor	[1]
Stress-activated protein kinase 2a (p38 alpha)	TTQBR95	MK14_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK1 (JNK1)	TT0K6EO	MK08_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK2 (JNK2)	TTHS0U8	MK09_HUMAN	Inhibitor	[1]
Stress-activated protein kinase JNK3 (JNK3)	TT056SO	MK10_HUMAN	Inhibitor	[1]

References

• [1] c-Jun N-terminal kinase inhibitors: a patent review (2010 - 2014).Expert Opin Ther Pat. 2015;25(8):849-72.
• [2] 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).
• [3] Cell cycle kinases as therapeutic targets for cancer. Nat Rev Drug Discov. 2009 Jul;8(7):547-66.
• [4] 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.
• [5] P276-00, a novel cyclin-dependent inhibitor induces G1-G2 arrest, shows antitumor activity on cisplatin-resistant cells and significant in vivo efficacy in tumor models. Mol Cancer Ther. 2007 Mar;6(3):926-34.
• [6] 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.
• [7] 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.
• [8] Cyclin-dependent kinase inhibitors for cancer therapy: a patent review (2009 - 2014).Expert Opin Ther Pat. 2015;25(9):953-70.
• [9] Discovery of novel CDK1 inhibitors by combining pharmacophore modeling, QSAR analysis and in silico screening followed by in vitro bioassay. Eur J Med Chem. 2010 Sep;45(9):4316-30.
• [10] Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).
• [11] Efficacy, pharmacodynamics, and safety of VX-702, a novel p38 MAPK inhibitor, in rheumatoid arthritis: results of two randomized, double-blind, placebo-controlled clinical studies. Arthritis Rheum. 2009 May;60(5):1232-41.
• [12] Pharmacological inhibitors of MAPK pathways. Trends Pharmacol Sci. 2002 Jan;23(1):40-5.
• [13] 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.
• [14] Preclinical metabolism and pharmacokinetics of SB1317 (TG02), a potent CDK/JAK2/FLT3 inhibitor. Drug Metab Lett. 2012 Mar;6(1):33-42.
• [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] Mechanism of action of SNS-032, a novel cyclin-dependent kinase inhibitor, in chronic lymphocytic leukemia. Blood. 2009 May 7;113(19):4637-45.
• [17] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [18] Agreement signed with Prostagenics to develop prostate cancer treatment. Innovate Oncology, Inc. 2005.
• [19] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [20] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2017
• [21] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [22] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
• [23] Dual CDK4/CDK6 inhibition induces cell-cycle arrest and senescence in neuroblastoma. Clin Cancer Res. 2013 Nov 15;19(22):6173-82.
• [24] Liposarcoma: molecular genetics and therapeutics. Sarcoma. 2011;2011:483154.