SCHEMBL4418872

SCHEMBL4418872

CN(C)c1ncc(Cc2cnc(SCc3ccc(F)cc3)[nH]c2=O)cn1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 15/20 0.72
MAOB P27338 1/20 0.44
MAPT P10636 1/20 0.43
DAO P14920 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL7585604 0.89 PLA2G7 (0.78) PLA2G7MAOBMAPTDAOALDH1A1
SCHEMBL7535514 0.85 PLA2G7 (0.63) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4423080 0.84 PLA2G7 (0.72) PLA2G7MAOBMAPT
SCHEMBL4418525 0.84 PLA2G7 (1.00) PLA2G7MAOBMAPTDAO
SCHEMBL4419405 0.83 PLA2G7 (0.73) PLA2G7MAOBMAPTDAO
SCHEMBL4423257 0.82 PLA2G7 (0.76) PLA2G7MAOBDAO
SCHEMBL3545058 0.82 PLA2G7 (0.71) PLA2G7MAOBMAPTDAOALDH1A1
SCHEMBL4415191 0.81 PLA2G7 (0.74) PLA2G7MAOBMAPTDAOLMNA
SCHEMBL7582759 0.81 PLA2G7 (0.71) PLA2G7MAOBMAPTDAO
SCHEMBL7011666 0.81 PLA2G7 (0.71) PLA2G7MAOBDAO

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 5 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
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed