SCHEMBL17023161

SCHEMBL17023161

CCN1CCN(c2cccc(NC(=O)Oc3ccc(-c4c(C)cccc4C)c4nccnc34)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 4/20 0.61
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
ADRA1A P35348 1/20 0.40
DRD4 P21917 2/20 0.40
VCP P55072 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
KDR P35968 2/20 0.38
LCK P06239 1/20 0.38
HCK P08631 1/20 0.38
SRC P12931 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SPHK1 Q9NYA1 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
SCHEMBL17023029 0.91 FGFR3 (0.50) FGFR3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17023176 0.88 FGFR3 (0.80) FGFR3KDRLCKSRCKIT
SCHEMBL12678315 0.86 FGFR3 (0.75) FGFR3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL17023074 0.83 FGFR3 (0.59) FGFR3DRD2DRD4MAPTKDM4E
SCHEMBL17023142 0.83 FGFR3 (0.52) FGFR3DRD2DRD3ADRA1AMAPT
SCHEMBL17023062 0.78 FGFR3 (0.66) FGFR3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12678316 0.76 FGFR3 (0.62) FGFR3MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1126305 0.76 FGFR3 (1.00) FGFR3
SCHEMBL17023015 0.75 L3MBTL1 (0.54) FGFR3MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL17023031 0.73 FGFR3 (0.65) FGFR3

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
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed