SCHEMBL20049904

SCHEMBL20049904

C=C(C)Nc1ncc(-c2ccc(F)cc2C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 15/20 0.42
GRIN1 Q05586 13/20 0.42
ABL1 P00519 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EIF2AK3 Q9NZJ5 2/20 0.38
EIF2S1 P05198 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL20049775 0.86 NPC1 (0.42) GRIN2BGRIN1ABL1NPC1ALDH1A1
SCHEMBL20049992 0.83 CNR1 (0.39) GRIN2BGRIN1ABL1NPC1ALDH1A1
SCHEMBL20050027 0.83 GRIN2B (0.44) GRIN2BGRIN1
SCHEMBL20050000 0.81 ABL1 (0.39) GRIN2BGRIN1ABL1NPC1ALDH1A1
SCHEMBL20049838 0.81 NPC1 (0.38) GRIN2BGRIN1ABL1NPC1ALDH1A1
SCHEMBL20049814 0.81 GRIN2B (0.44) GRIN2BGRIN1ABL1EIF2AK3EIF2S1
SCHEMBL20049970 0.81 GRM5 (0.43) GRIN2BGRIN1NPC1ALDH1A1RAB9A
SCHEMBL20049825 0.80 GSK3B (0.42) GRIN2BGRIN1NPC1ALDH1A1
SCHEMBL25584752 0.79 GRIN2B (0.43) GRIN2BGRIN1
SCHEMBL20049991 0.78 PDGFRB (0.40) GRIN2BGRIN1NPC1ALDH1A1

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