SCHEMBL20050002

SCHEMBL20050002

CNc1ncc(-c2ccc(F)c(C)c2F)cc1C

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 20/20 0.44
GRIN1 Q05586 15/20 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
SCHEMBL25589445 0.84 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL20050027 0.82 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL25586483 0.82 GRIN2B (0.42) GRIN2BGRIN1
SCHEMBL20049814 0.80 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL25586426 0.78 GRIN2B (0.45) GRIN2BGRIN1
SCHEMBL20049978 0.77 CHRNA7 (0.45) GRIN2BGRIN1
SCHEMBL20049768 0.77 GRIN2B (0.49) GRIN2BGRIN1
SCHEMBL25586111 0.75 GRIN2B (0.47) GRIN2BGRIN1
SCHEMBL21613575 0.74 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL21613542 0.74 GRIN2B (0.45) 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