SCHEMBL20049954

SCHEMBL20049954

CNc1ncc(-c2ccc(C)cc2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
GRM5 P41594 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LRRK2 Q5S007 5/20 0.39
CYP2A6 P11509 1/20 0.39
VEGFA P15692 2/20 0.38
FLT1 P17948 2/20 0.38
EGLN1 Q9GZT9 2/20 0.38
EGLN3 Q9H6Z9 2/20 0.38
MAP4K4 O95819 1/20 0.38
PARP1 P09874 1/20 0.37
KIT P10721 1/20 0.37
PSMB5 P28074 1/20 0.37
CHRNA7 P36544 2/20 0.36

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
SCHEMBL25583779 0.86 CHRNA7 (0.49) PDGFRBPDGFRAALDH1A1KDM4ENPC1
SCHEMBL20049815 0.85 PSMB5 (0.47) PDGFRBPDGFRAGRM5ALDH1A1KDM4E
SCHEMBL20050011 0.85 USP2 (0.40) PDGFRBPDGFRANPC1LMNACYP2A6
SCHEMBL20049975 0.83 GRIN1 (0.36) PDGFRBPDGFRACYP2A6MAP4K4PSMB5
SCHEMBL23283131 0.82 KIF11 (0.50) ALDH1A1KDM4ELMNAMAP4K4HPGD
SCHEMBL20881385 0.82 NOS1 (0.44) KDM4ECYP2A6CHRNA7CYP3A4MAPT
SCHEMBL25586426 0.81 GRIN2B (0.45) LRRK2FLT1MAP4K4CHRNA7CYP2C19
SCHEMBL20049894 0.81 MAP4K4 (0.45) EGLN1MAP4K4KIT
SCHEMBL17066358 0.80 CYP2A6 (0.52) PDGFRBPDGFRAALDH1A1KDM4ENPC1
SCHEMBL20049978 0.80 CHRNA7 (0.45) PDGFRBPDGFRACHRNA7

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