SCHEMBL20049970

SCHEMBL20049970

C=C(C)Nc1ncc(-c2cccc(F)c2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
MAP4K4 O95819 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
TOP2A P11388 1/20 0.39
KDR P35968 1/20 0.38
NPC1 O15118 3/20 0.38
EGLN1 Q9GZT9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR2 Q92731 1/20 0.38
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHEK2 O96017 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
SCHEMBL20049830 0.87 EGLN1 (0.41) MAP4K4GRIN1GRIN2BEGLN1WNT3A
SCHEMBL20049838 0.87 NPC1 (0.38) GRM5GRIN1GRIN2BNPC1ALDH1A1
SCHEMBL20049775 0.86 NPC1 (0.42) PDGFRBPDGFRAGRIN1GRIN2BKDR
SCHEMBL20049886 0.85 PSMB5 (0.42) GRM5MAP4K4GSK3AGSK3BKDR
SCHEMBL20049984 0.85 ESR2 (0.47) GRM5MAP4K4GRIN1GRIN2BKDR
SCHEMBL25584752 0.84 GRIN2B (0.43) GRIN1GRIN2B
SCHEMBL20049967 0.84 ALDH1A1 (0.52) GRIN1GRIN2BALDH1A1L3MBTL1
SCHEMBL25588530 0.83 NPC1 (0.36) GRIN1GRIN2BNPC1ALDH1A1RAB9A
SCHEMBL20049991 0.83 PDGFRB (0.40) PDGFRBPDGFRAGRIN1GRIN2BNPC1
SCHEMBL20049842 0.82 NEK1 (0.43) GRM5MAP4K4GSK3AGRIN1GRIN2B

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