SCHEMBL7147406

SCHEMBL7147406

C=CCNc1nccc(-n2c(N3CCNC3=O)nc3ccccc32)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
MKNK1 Q9BUB5 12/20 0.38
MKNK2 Q9HBH9 9/20 0.38
HTR3A P46098 1/20 0.37
LCK P06239 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CCND3 P30281 1/20 0.35
CDK7 P50613 1/20 0.35
CDK9 P50750 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7147806 0.78 LCK (0.44) MKNK1MKNK2LCKMAPK10RAB9A
SCHEMBL7097114 0.77 LCK (0.38) MAPK13MAPK12MAPK11MAPK14OPRM1
SCHEMBL7152631 0.77 LCK (0.40) MAPK13MAPK12MAPK11MAPK14OPRM1
SCHEMBL7100179 0.74 MAPK10 (0.41) OPRM1OPRD1OPRK1OGFRL1MKNK1
SCHEMBL7148377 0.74 TP53 (0.41) MKNK1MKNK2LCKMAPK10KDM4E
SCHEMBL7097579 0.72 MAPK10 (0.40) OPRM1OPRD1OPRK1OGFRL1MKNK1
SCHEMBL7147218 0.72 MAPK10 (0.38) MKNK1MKNK2LCKMAPK10
SCHEMBL7103831 0.71 MKNK1 (0.41) MKNK1MKNK2LCKKDM4EALDH1A1
SCHEMBL7145870 0.70 LCK (0.70) MKNK1MKNK2LCK
SCHEMBL4580971 0.69 IDH1 (0.40) MAPK13MAPK12MAPK11MAPK14MKNK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed
EP-1206265-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1206265-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP disclosed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US disclosed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed