SCHEMBL7601075

SCHEMBL7601075

Cn1cc(Cc2cn(CC(=O)OC(C)(C)C)c(Sc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 0.53
CYP3A4 P08684 2/20 0.49

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
SCHEMBL4420138 0.89 PLA2G7 (0.68) PLA2G7CYP3A4
SCHEMBL4411608 0.82 PLA2G7 (0.57) PLA2G7CYP3A4
SCHEMBL4425737 0.81 PLA2G7 (0.59) PLA2G7CYP3A4
SCHEMBL4412340 0.79 PLA2G7 (0.51) PLA2G7CYP3A4
SCHEMBL4415976 0.78 PLA2G7 (0.57) PLA2G7CYP3A4
SCHEMBL4419222 0.76 PLA2G7 (0.57) PLA2G7
SCHEMBL4552007 0.75 PLA2G7 (0.74) PLA2G7CYP3A4
SCHEMBL4416174 0.75 PLA2G7 (0.59) PLA2G7
SCHEMBL4385379 0.74 PLA2G7 (0.59) PLA2G7CYP3A4
SCHEMBL3538336 0.73 PLA2G7 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175408-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-30 EP disclosed
WO-2000066567-A1 PYRIMIDINONE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 WO disclosed