SCHEMBL4380044

SCHEMBL4380044

[CH2]CNc1nc(NCc2cccc(F)c2)ncc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.69
NTRK1 P04629 3/20 0.51
SIRT5 Q9NXA8 1/20 0.47
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4387612 0.87 PRKCQ (0.68) PRKCQSIRT5
SCHEMBL4392873 0.86 PRKCQ (0.67) PRKCQSIRT5CYP1A2
SCHEMBL4384358 0.86 PRKCQ (0.65) PRKCQSIRT5
SCHEMBL4384306 0.85 PRKCQ (0.53) PRKCQ
SCHEMBL3182583 0.84 PRKCQ (0.61) PRKCQNTRK1SIRT5
SCHEMBL4385085 0.82 PRKCQ (0.54) PRKCQ
SCHEMBL4389712 0.82 PRKCQ (0.54) PRKCQ
SCHEMBL13671808 0.82 PRKCQ (0.86) PRKCQ
SCHEMBL13793818 0.82 PRKCQ (1.00) PRKCQ
SCHEMBL4385162 0.80 NTRK1 (0.49) PRKCQNTRK1

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