SCHEMBL17023142

SCHEMBL17023142

CCN1CCN(c2cccc(NC(=O)Oc3ccc(-c4cncc5ccccc45)c4nccnc34)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 5/20 0.52
WNT1 P04628 2/20 0.40
DYRK1A Q13627 2/20 0.40
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
HSP90AA1 P07900 2/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP17A1 P05093 3/20 0.38
ROCK2 O75116 1/20 0.38
JAK3 P52333 1/20 0.38
BTK Q06187 1/20 0.38
PTK2 Q05397 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL17023180 0.91 NPC1 (0.49) FGFR3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12678269 0.87 FGFR3 (0.63) FGFR3WNT1DYRK1AMAPTNPC1
SCHEMBL17023161 0.83 FGFR3 (0.61) FGFR3DRD2ADRA1ADRD3MAPT
SCHEMBL17023074 0.80 FGFR3 (0.59) FGFR3DRD2HSP90AA1MAPTKDM4E
SCHEMBL17023176 0.79 FGFR3 (0.80) FGFR3
SCHEMBL1126298 0.78 FGFR3 (0.60) FGFR3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17023034 0.78 FGFR3 (0.49) FGFR3WNT1DYRK1AHSP90AA1RAB9A
SCHEMBL17023029 0.74 FGFR3 (0.50) FGFR3MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL17023072 0.74 GAA (0.53) HSP90AA1MAPTNPC1RAB9AESR2
SCHEMBL17023126 0.74 FGFR3 (0.77) 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