SCHEMBL20049978

SCHEMBL20049978

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.45
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
GRIN2B Q13224 13/20 0.40
GRIN1 Q05586 6/20 0.40
APP P05067 2/20 0.39
DYRK1A Q13627 1/20 0.39
CYP17A1 P05093 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL25586426 0.92 GRIN2B (0.45) CHRNA7GRIN2BGRIN1DYRK1A
SCHEMBL25588372 0.90 CHRNA7 (0.40) CHRNA7PDGFRBPDGFRAGRIN2BAPP
SCHEMBL25583779 0.83 CHRNA7 (0.49) CHRNA7PDGFRBPDGFRAGRIN2B
SCHEMBL20050011 0.83 USP2 (0.40) CHRNA7PDGFRBPDGFRA
SCHEMBL20050005 0.82 GRIN2B (0.38) CHRNA7GRIN2BGRIN1
SCHEMBL20049991 0.81 PDGFRB (0.40) CHRNA7PDGFRBPDGFRAGRIN2BGRIN1
SCHEMBL20050084 0.81 MAP4K4 (0.48) PDGFRBPDGFRAGRIN2BGRIN1CYP17A1
SCHEMBL20049954 0.80 PDGFRB (0.41) CHRNA7PDGFRBPDGFRA
SCHEMBL20050002 0.77 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL23283131 0.76 KIF11 (0.50)

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