SCHEMBL4425959

SCHEMBL4425959

CN(Cc1ccc(-c2ccc(Cl)cc2)cc1F)C(=O)Cn1cc(Cc2cnn(C)c2)c(=O)nc1SCc1ccc(F)cc1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.86
CYP3A4 P08684 5/20 0.75

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
SCHEMBL4411628 0.93 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4425725 0.91 PLA2G7 (0.88) PLA2G7CYP3A4
SCHEMBL5867357 0.89 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4416276 0.88 PLA2G7 (0.87) PLA2G7
SCHEMBL4419834 0.86 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4418948 0.86 PLA2G7 (0.82) PLA2G7CYP3A4
SCHEMBL4411693 0.86 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4423106 0.86 PLA2G7 (1.00) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL6878711 0.85 PLA2G7 (0.99) PLA2G7CYP3A4
Hydrochloric Acid SCHEMBL4418918 0.85 PLA2G7 (0.99) 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