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Sugi Predict / Compounds / SCHEMBL4415535

SCHEMBL4415535

SCHEMBL4415535

COc1ncc(Cc2cn(CCCC(=O)N(C)Cc3ccc(-c4ccc(F)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 20/20 1.00

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
SCHEMBL4552498 0.96 PLA2G7 (1.00) PLA2G7
SCHEMBL4420066 0.94 PLA2G7 (0.89) PLA2G7
SCHEMBL4415307 0.91 PLA2G7 (1.00) PLA2G7
SCHEMBL4415707 0.87 PLA2G7 (1.00) PLA2G7
SCHEMBL4425607 0.87 PLA2G7 (1.00) PLA2G7
SCHEMBL4425456 0.87 PLA2G7 (0.77) PLA2G7
SCHEMBL4416249 0.86 PLA2G7 (1.00) PLA2G7
SCHEMBL4424430 0.86 PLA2G7 (1.00) PLA2G7
SCHEMBL4551997 0.85 PLA2G7 (0.74) PLA2G7
SCHEMBL4426870 0.84 PLA2G7 (0.86) 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