Sugi Predict

Sugi Predict / Compounds / SCHEMBL5867322

SCHEMBL5867322

SCHEMBL5867322

COc1ncc(Cc2cn(CC(=O)N(C)Cc3ccc(-c4ccc(C(F)(F)F)cc4)cc3F)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 20/20 0.87
▸ CYP3A4 P08684 1/20 0.59

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
SCHEMBL4416249 0.93 PLA2G7 (1.00) PLA2G7
SCHEMBL4416276 0.92 PLA2G7 (0.87) PLA2G7
SCHEMBL4419235 0.89 PLA2G7 (0.86) PLA2G7
SCHEMBL4411475 0.89 PLA2G7 (0.86) PLA2G7
SCHEMBL4415307 0.88 PLA2G7 (1.00) PLA2G7
SCHEMBL4426870 0.87 PLA2G7 (0.86) PLA2G7
SCHEMBL4415683 0.87 PLA2G7 (0.85) PLA2G7CYP3A4
SCHEMBL4419386 0.86 PLA2G7 (0.88) PLA2G7
SCHEMBL5867333 0.86 PLA2G7 (0.83) PLA2G7
SCHEMBL4412352 0.85 PLA2G7 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115616-B2 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2006-10-03 — — US disclosed