SCHEMBL4753289

SCHEMBL4753289

CNc1nc(C2CC3C(C2)C3(F)F)n(-c2ccc(C#N)cc2)c(=O)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 2/20 0.34
CRHR1 P34998 1/20 0.34
USP14 P54578 16/20 0.33
POLB P06746 1/20 0.32
USP5 P45974 1/20 0.32
USP7 Q93009 1/20 0.32

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
SCHEMBL13985503 0.82 USP14 (0.35) USP14POLBUSP5USP7
SCHEMBL4755691 0.81 USP14 (0.36) USP14USP5USP7
SCHEMBL13985512 0.76 CRHR1 (0.35) MAT2ACRHR1
SCHEMBL4756656 0.76 CRHR1 (0.35) MAT2ACRHR1
SCHEMBL13985228 0.73 CRHR1 (0.35) CRHR1USP14USP5USP7
SCHEMBL13985230 0.71 DRD1 (0.39) MAT2ACRHR1POLB
SCHEMBL4753340 0.71 DRD1 (0.39) MAT2ACRHR1POLB
SCHEMBL4755555 0.69 PDE4B (0.35) USP14
SCHEMBL4755548 0.69 PDE4B (0.35) USP14
SCHEMBL4755225 0.68 DRD1 (0.40) MAT2ACRHR1POLB

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed