SCHEMBL17023106

SCHEMBL17023106

COc1ccc(Cl)c(-c2ccc(OC(=O)Nc3ccc(OCCN(C)C)cc3)c3nccnc23)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.47
KDR P35968 5/20 0.42
FGFR3 P22607 1/20 0.40
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
LCK P06239 1/20 0.39
SRC P12931 1/20 0.39
MAPK14 Q16539 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PAICS P22234 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
SCHEMBL12678307 0.86 FGFR3 (0.52) HRH3KDRFGFR3
SCHEMBL17023093 0.86 FGFR3 (0.55) HRH3KDRFGFR3
SCHEMBL17023135 0.81 FAAH (0.53) HRH3
SCHEMBL17023123 0.80 HRH3 (0.52) HRH3KDRLCKSRCMAPK14
SCHEMBL17023089 0.79 FGFR3 (0.48) KDRFGFR3ABL1BCRLCK
SCHEMBL17023037 0.79 HPGDS (0.44) FGFR3KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL17023109 0.77 HRH3 (0.41) HRH3FGFR3KDM4EALDH1A1ABL1
SCHEMBL1127069 0.75 FGFR3 (0.49) KDRFGFR3PAICS
SCHEMBL17023074 0.73 FGFR3 (0.59) FGFR3KDM4EDRD2MEN1KMT2A
SCHEMBL12678226 0.73 FGFR3 (0.72) KDRFGFR3

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