SCHEMBL4415718

SCHEMBL4415718

CCOC(=O)Cn1cc(Cc2cnc(N(C)C)nc2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.69

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
SCHEMBL4414090 0.89 PLA2G7 (0.73) PLA2G7
SCHEMBL4424682 0.89 PLA2G7 (0.71) PLA2G7
SCHEMBL4552375 0.88 PLA2G7 (0.70) PLA2G7
SCHEMBL4552811 0.86 PLA2G7 (0.68) PLA2G7
SCHEMBL4423089 0.86 PLA2G7 (0.68) PLA2G7
SCHEMBL4419546 0.85 PLA2G7 (0.69) PLA2G7
SCHEMBL7576418 0.84 PLA2G7 (0.59) PLA2G7
SCHEMBL6954063 0.82 PLA2G7 (0.85) PLA2G7
SCHEMBL6952858 0.82 PLA2G7 (0.85) PLA2G7
SCHEMBL5867396 0.82 PLA2G7 (1.00) PLA2G7

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