SCHEMBL7500509

SCHEMBL7500509

O=C(Nc1ccccc1)N1CCC(CNc2nccc(-n3cnc4ccccc43)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.66
MKNK1 Q9BUB5 2/20 0.52
MKNK2 Q9HBH9 2/20 0.52

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
SCHEMBL7506129 0.95 LCK (0.73) LCKMKNK1MKNK2
SCHEMBL7508074 0.88 LCK (0.68) LCK
SCHEMBL7507450 0.87 LCK (0.69) LCKMKNK1MKNK2
SCHEMBL7508722 0.84 LCK (0.91) LCK
SCHEMBL7508987 0.84 LCK (0.73) LCK
SCHEMBL7511834 0.83 LCK (0.83) LCKMKNK1MKNK2
SCHEMBL7503366 0.82 LCK (0.75) LCKMKNK1MKNK2
SCHEMBL7514449 0.81 LCK (0.61) LCKMKNK1MKNK2
SCHEMBL7505773 0.81 LCK (0.63) LCKMKNK1MKNK2
SCHEMBL7505777 0.80 LCK (0.82) LCK

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP claimed
EP-1206260-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-05-22 EP claimed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 US claimed
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1206260-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-10-30 EP disclosed
EP-1206260-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
WO-2001000207-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO disclosed