SCHEMBL4384306

SCHEMBL4384306

[CH2]CNc1nc(NCc2ccc(F)c(F)c2)ncc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 19/20 0.53
STK17A Q9UEE5 1/20 0.44

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
SCHEMBL4385085 0.90 PRKCQ (0.54) PRKCQSTK17A
SCHEMBL4389712 0.90 PRKCQ (0.54) PRKCQSTK17A
SCHEMBL4392873 0.87 PRKCQ (0.67) PRKCQ
SCHEMBL4380044 0.85 PRKCQ (0.69) PRKCQ
SCHEMBL4387931 0.84 PRKCQ (0.67) PRKCQSTK17A
SCHEMBL4387612 0.84 PRKCQ (0.68) PRKCQSTK17A
SCHEMBL3190820 0.83 SIRT5 (0.49) PRKCQSTK17A
SCHEMBL13671816 0.82 PRKCQ (0.69) PRKCQ
SCHEMBL4384358 0.82 PRKCQ (0.65) PRKCQ
SCHEMBL4392092 0.79 RPS6KB1 (0.43)

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-2131844-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV Therapeutics Inc. (US) 2009-12-16 EP disclosed
WO-2008123891-A1 PTERIDINONE DERIVATIVES FOR USE AS STEAROYL CoA DESATURASE INHIBITORS CV THERAPEUTICS, INC. (US) 2008-10-16 WO disclosed