SCHEMBL4313277

SCHEMBL4313277

CCCCc1nc(C)n(-c2ccc(OC)c(C)c2)c(=O)c1Cc1cccc(-c2ccccc2)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 11/20 0.41
F10 P00742 1/20 0.38

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
SCHEMBL4009558 0.86 APLNR (0.44)
SCHEMBL4016374 0.81 F10 (0.40) CD274F10
SCHEMBL1893210 0.80 APLNR (0.45)
SCHEMBL4013365 0.80 SMN1; SMN2 (0.40) CD274F10
SCHEMBL4009996 0.79 S1PR1 (0.37) CD274
SCHEMBL1892438 0.79 APLNR (0.43)
SCHEMBL1890584 0.77 PPARG (0.49)
SCHEMBL1892788 0.77 ACHE (0.42)
SCHEMBL2842991 0.76 APLNR (0.44)
SCHEMBL4013204 0.76 CYP2C19 (0.39)

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
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed