SCHEMBL4425973

SCHEMBL4425973

COCCn1cc(Cc2cnc(SCc3ccc(F)cc3)[nH]c2=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 11/20 0.59
MAOB P27338 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GFER P55789 1/20 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
SCHEMBL7557795 0.87 PLA2G7 (0.65) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4420052 0.85 PLA2G7 (0.67) PLA2G7MAPT
SCHEMBL4425969 0.82 PLA2G7 (0.48) PLA2G7
SCHEMBL7535514 0.78 PLA2G7 (0.63) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4423080 0.78 PLA2G7 (0.72) PLA2G7MAOBMAPT
SCHEMBL7585604 0.77 PLA2G7 (0.78) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4423257 0.76 PLA2G7 (0.76) PLA2G7MAOB
SCHEMBL3545058 0.76 PLA2G7 (0.71) PLA2G7MAOBMAPTALDH1A1LMNA
SCHEMBL4415191 0.75 PLA2G7 (0.74) PLA2G7MAOBMAPTLMNAHPGD
SCHEMBL4418525 0.75 PLA2G7 (1.00) PLA2G7MAOBMAPT

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