SCHEMBL17023116

SCHEMBL17023116

Cc1cscc1-c1ccc(OC(=O)Nc2ccc(N3CCN(C)CC3)nc2)c2nccnc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
FGFR3 P22607 1/20 0.42
PDE7A Q13946 1/20 0.40
PPARG P37231 1/20 0.40
EGFR P00533 2/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 2/20 0.38
DGAT1 O75907 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
WNT3A P56704 1/20 0.37
PIK3CA P42336 1/20 0.36
MELK Q14680 1/20 0.36
GSK3B P49841 1/20 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
SCHEMBL17023015 0.86 L3MBTL1 (0.54) L3MBTL1RAB9ASMN1; SMN2FGFR3PDE7A
SCHEMBL1126611 0.85 L3MBTL1 (0.60) L3MBTL1RAB9ASMN1; SMN2FGFR3PDE7A
SCHEMBL17023016 0.84 FGFR3 (0.49) L3MBTL1RAB9ASMN1; SMN2FGFR3PDE7A
SCHEMBL17023125 0.82 L3MBTL1 (0.47) L3MBTL1RAB9ASMN1; SMN2FGFR3PPARG
SCHEMBL17023034 0.81 FGFR3 (0.49) L3MBTL1RAB9ASMN1; SMN2FGFR3PPARG
SCHEMBL17023075 0.77 FGFR3 (0.54) FGFR3
SCHEMBL4321851 0.75 L3MBTL1 (0.39) L3MBTL1RAB9ASMN1; SMN2FGFR3KDM4E
SCHEMBL17023121 0.74 FGFR3 (0.40) FGFR3MAPTKDM4EALDH1A1KMT2A
SCHEMBL29739477 0.72 GAA (0.68) L3MBTL1RAB9ASMN1; SMN2PPARGEGFR
SCHEMBL1126163 0.72 L3MBTL1 (0.67) L3MBTL1RAB9ASMN1; SMN2FGFR3PPARG

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