SCHEMBL7547578

SCHEMBL7547578

CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)C(CNc2nccc(-n3cnc4ccccc43)n2)C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.66
PARP1 P09874 1/20 0.44
MKNK1 Q9BUB5 4/20 0.44
MKNK2 Q9HBH9 4/20 0.44

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
SCHEMBL7596936 0.86 LCK (0.69) LCK
SCHEMBL7596940 0.86 LCK (0.69) LCK
SCHEMBL7543704 0.86 LCK (0.69) LCK
SCHEMBL7867885 0.86 LCK (0.69) LCK
SCHEMBL7021056 0.85 LCK (0.53) LCK
SCHEMBL7592889 0.85 LCK (0.53) LCK
SCHEMBL7547945 0.84 LCK (0.62) LCK
SCHEMBL7515145 0.83 LCK (0.71) LCKMKNK1MKNK2
SCHEMBL7547581 0.83 LCK (0.53) LCKPARP1
SCHEMBL7508722 0.81 LCK (0.91) 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-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP claimed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP claimed
US-6316444-B1 SRC kinase inhibitor compounds MERCK & CO., INC. 2001-11-13 US claimed
WO-2001000214-A1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO., INC. (US) 2001-01-04 WO claimed
EP-1194152-A4 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1194152-A1 SRC KINASE INHIBITOR COMPOUNDS Merck & Co., Inc. (US) 2002-04-10 EP 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