SCHEMBL7097579

SCHEMBL7097579

C=CCNc1nccc(-n2c(-c3c[nH]nn3)nc3ccccc32)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.40
MKNK1 Q9BUB5 8/20 0.38
MKNK2 Q9HBH9 7/20 0.38
LCK P06239 1/20 0.37
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
KDR P35968 1/20 0.33
PLK1 P53350 1/20 0.33
PTK2 Q05397 1/20 0.33

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
SCHEMBL7147218 0.82 MAPK10 (0.38) MAPK10MKNK1MKNK2LCK
SCHEMBL7147806 0.79 LCK (0.44) MAPK10MKNK1MKNK2LCK
SCHEMBL7100179 0.75 MAPK10 (0.41) MAPK10MKNK1MKNK2LCKOPRM1
SCHEMBL7148377 0.73 TP53 (0.41) MAPK10MKNK1MKNK2LCK
SCHEMBL7097114 0.72 LCK (0.38) MAPK10MKNK1MKNK2LCKOPRM1
SCHEMBL7147406 0.72 MAPK13 (0.41) MAPK10MKNK1MKNK2LCKOPRM1
SCHEMBL7152631 0.71 LCK (0.40) MAPK10MKNK1MKNK2LCKOPRM1
SCHEMBL7103831 0.71 MKNK1 (0.41) MKNK1MKNK2LCK
SCHEMBL7145870 0.71 LCK (0.70) MKNK1MKNK2LCK
SCHEMBL9271690 0.60 FDPS (0.49) CDK2KDR

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 10 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-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP 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
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 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
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed