SCHEMBL4426033

SCHEMBL4426033

Cn1cc(Cc2cn(CC(=O)NCc3ccc(-c4ccc(Cl)cc4)cc3)c(SCc3ccc(F)cc3)nc2=O)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 20/20 1.00
CYP3A4 P08684 6/20 0.72

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
SCHEMBL4412950 0.96 PLA2G7 (0.92) PLA2G7CYP3A4
SCHEMBL4424698 0.91 PLA2G7 (0.83) PLA2G7CYP3A4
SCHEMBL4423071 0.88 PLA2G7 (1.00) PLA2G7
SCHEMBL4425793 0.87 PLA2G7 (0.78) PLA2G7
SCHEMBL4426144 0.86 PLA2G7 (1.00) PLA2G7
SCHEMBL4411628 0.85 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4418955 0.85 PLA2G7 (0.80) PLA2G7
SCHEMBL4419834 0.85 PLA2G7 (1.00) PLA2G7CYP3A4
SCHEMBL4415597 0.85 PLA2G7 (1.00) PLA2G7
SCHEMBL7586031 0.84 PLA2G7 (0.96) 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
EP-1479671-B1 Pyrimidinone compounds SMITHKLINE BEECHAM PLC (GB) 2009-05-27 EP disclosed