SCHEMBL4412340

SCHEMBL4412340

Cc1cc(CSc2nc(=O)c(Cc3cnn(C)c3)cn2CC(=O)OC(C)(C)C)cc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.51
CYP3A4 P08684 2/20 0.47

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
SCHEMBL4411608 0.87 PLA2G7 (0.57) PLA2G7CYP3A4
SCHEMBL6307675 0.87 PLA2G7 (0.56) PLA2G7CYP3A4
SCHEMBL4420138 0.87 PLA2G7 (0.68) PLA2G7CYP3A4
SCHEMBL7601075 0.79 PLA2G7 (0.53) PLA2G7CYP3A4
SCHEMBL5867528 0.77 PLA2G7 (0.51) PLA2G7CYP3A4
SCHEMBL4415976 0.77 PLA2G7 (0.57) PLA2G7CYP3A4
SCHEMBL4415608 0.76 PLA2G7 (0.82) PLA2G7CYP3A4
SCHEMBL4427022 0.76 PLA2G7 (0.65) PLA2G7CYP3A4
SCHEMBL4418939 0.74 PLA2G7 (0.58) PLA2G7
SCHEMBL4421664 0.74 PLA2G7 (0.62) PLA2G7CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 US disclosed
US-6953803-B1 1-[(N-(2-(diethylamino)ethyl)-N-(4-(4-trifluoromethylphenyl)benzyl)aminocarbonylmethyl)]-2-(4-fluorobenzyl)thio-5-(1-methyl-4-pyrazolylmethyl)pyrimidin-4-one; enzyme inhibitors of lipoprotein associated phospholipase A2 (Lp-PLA2); atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2005-10-11 US disclosed