SCHEMBL4384358

SCHEMBL4384358

[CH2]CNc1nc(NCc2ccccc2)ncc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 15/20 0.65
SIRT5 Q9NXA8 2/20 0.60
GSK3B P49841 1/20 0.54
MAPT P10636 1/20 0.51
EGFR P00533 1/20 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
SCHEMBL4387931 0.87 PRKCQ (0.67) PRKCQSIRT5GSK3BMAPT
SCHEMBL4392873 0.87 PRKCQ (0.67) PRKCQSIRT5
SCHEMBL4387612 0.87 PRKCQ (0.68) PRKCQSIRT5GSK3B
SCHEMBL4380044 0.86 PRKCQ (0.69) PRKCQSIRT5
SCHEMBL4384306 0.82 PRKCQ (0.53) PRKCQ
SCHEMBL3183582 0.81 SIRT5 (0.65) PRKCQSIRT5GSK3BMAPT
SCHEMBL3971786 0.80 PIN1 (0.65) PRKCQSIRT5MAPTEGFR
SCHEMBL5416389 0.80 STK17A (0.67) PRKCQSIRT5GSK3BMAPT
SCHEMBL3285968 0.80 PRKCQ (1.00) PRKCQGSK3B
SCHEMBL13671799 0.80 PRKCQ (0.85) PRKCQGSK3B

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