SCHEMBL7103831

SCHEMBL7103831

C=CCNc1nccc(-n2c(NCCCCC)nc3ccccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.41
MKNK2 Q9HBH9 6/20 0.41
HRH4 Q9H3N8 2/20 0.41
TSHR P16473 2/20 0.38
DNM2 P50570 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
LCK P06239 2/20 0.38

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 0.88 LCK (0.44) MKNK1MKNK2TSHRPIK3CAMTOR
SCHEMBL7100179 0.76 MAPK10 (0.41) MKNK1MKNK2LCK
SCHEMBL7148377 0.73 TP53 (0.41) MKNK1MKNK2ALDH1A1KDM4ELCK
SCHEMBL7097114 0.73 LCK (0.38) MKNK1MKNK2LCK
SCHEMBL7152631 0.72 LCK (0.40) MKNK1MKNK2TSHRLCK
SCHEMBL7145870 0.72 LCK (0.70) MKNK1MKNK2LCK
SCHEMBL7147218 0.71 MAPK10 (0.38) MKNK1MKNK2LCK
SCHEMBL7097579 0.71 MAPK10 (0.40) MKNK1MKNK2LCK
SCHEMBL7147406 0.71 MAPK13 (0.41) MKNK1MKNK2ALDH1A1KDM4ELCK
SCHEMBL1170308 0.64 ALDH1A1 (0.61) ALDH1A1

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 13 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-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 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-1206260-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-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2001000213-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed