SCHEMBL20050005

SCHEMBL20050005

CNc1ncc(-c2ccc(F)c(CCF)c2)cc1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 16/20 0.38
CHRNA7 P36544 2/20 0.38
GRIN1 Q05586 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34

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
SCHEMBL20050013 0.86 CDK8 (0.38) GRIN2BCHRNA7GRIN1PRMT5WDR77
SCHEMBL25586426 0.83 GRIN2B (0.45) GRIN2BCHRNA7GRIN1
SCHEMBL20049978 0.82 CHRNA7 (0.45) GRIN2BCHRNA7GRIN1
SCHEMBL25588372 0.79 CHRNA7 (0.40) GRIN2BCHRNA7
SCHEMBL25583779 0.75 CHRNA7 (0.49) GRIN2BCHRNA7
SCHEMBL20050011 0.75 USP2 (0.40) CHRNA7PRMT5WDR77
SCHEMBL20050023 0.73 NPC1 (0.33) GRIN2BCHRNA7GRIN1PRMT5WDR77
SCHEMBL20050084 0.73 MAP4K4 (0.48) GRIN2BGRIN1
SCHEMBL20049954 0.72 PDGFRB (0.41) CHRNA7
SCHEMBL20050002 0.70 GRIN2B (0.44) GRIN2BGRIN1

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-2018067786-A1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-12 WO disclosed