SCHEMBL4415526

SCHEMBL4415526

COc1ncc(Cc2cnc(SCc3csc(C)n3)[nH]c2=O)cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 16/20 0.47
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
DAO P14920 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4412907 0.78 PLA2G7 (0.49) PLA2G7DAO
SCHEMBL4423080 0.77 PLA2G7 (0.72) PLA2G7
SCHEMBL4414104 0.75 PLA2G7 (0.71) PLA2G7DAO
SCHEMBL4415602 0.74 PLA2G7 (0.56) PLA2G7DAO
SCHEMBL7585604 0.67 PLA2G7 (0.78) PLA2G7DAO
SCHEMBL8138900 0.65 SMN1; SMN2 (0.49) PLA2G7KMT2ADAOMEN1
SCHEMBL7007401 0.64 PLA2G7 (1.00) PLA2G7DAO
SCHEMBL11467052 0.64 DAO (0.67) PLA2G7DAO
SCHEMBL7007074 0.64 PLA2G7 (0.87) PLA2G7DAO
SCHEMBL7004566 0.63 PLA2G7 (0.67) PLA2G7DAO

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 2 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-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