SCHEMBL20049991

SCHEMBL20049991

C=C(C)Nc1ncc(-c2ccc(F)c(F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
GRIN2B Q13224 12/20 0.39
GRIN1 Q05586 6/20 0.39
CHRNA7 P36544 4/20 0.39
DYRK1A Q13627 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HSD17B14 Q9BPX1 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
SCHEMBL25584752 0.93 GRIN2B (0.43) GRIN2BGRIN1CHRNA7
SCHEMBL20049803 0.88 CHRNA7 (0.47) GRIN2BGRIN1CHRNA7NPC1
SCHEMBL20049775 0.86 NPC1 (0.42) PDGFRBPDGFRAGRIN2BGRIN1CHRNA7
SCHEMBL20049970 0.83 GRM5 (0.43) PDGFRBPDGFRAGRIN2BGRIN1NPC1
SCHEMBL20049908 0.83 CYP1A2 (0.40) GRIN2BGRIN1CHRNA7NPC1
SCHEMBL25588074 0.82 CHRNA7 (0.38) PDGFRBPDGFRACHRNA7NPC1ALDH1A1
SCHEMBL20049838 0.81 NPC1 (0.38) GRIN2BGRIN1NPC1ALDH1A1
SCHEMBL20049978 0.81 CHRNA7 (0.45) PDGFRBPDGFRAGRIN2BGRIN1CHRNA7
SCHEMBL20050023 0.81 NPC1 (0.33) GRIN2BGRIN1CHRNA7NPC1ALDH1A1
SCHEMBL20050027 0.80 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3523311-B1 SUBSTITUTED 1H-IMIDAZO[4,5-B]PYRIDIN-2(3H)-ONES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-06-07 EP disclosed
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