SCHEMBL17023016

SCHEMBL17023016

CN1CCN(c2ccc(NC(=O)Oc3ccc(-c4csc5ccccc45)c4nccnc34)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.45
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
EGFR P00533 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ACVRL1 P37023 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
DGAT1 O75907 2/20 0.38
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PDE7A Q13946 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
PPARG P37231 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
SCHEMBL12678295 0.87 FGFR3 (0.63) FGFR3L3MBTL1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17023125 0.86 L3MBTL1 (0.47) FGFR3L3MBTL1RAB9ASMN1; SMN2EGFR
SCHEMBL17023034 0.84 FGFR3 (0.49) FGFR3L3MBTL1RAB9ASMN1; SMN2EGFR
SCHEMBL17023116 0.84 L3MBTL1 (0.48) FGFR3L3MBTL1RAB9ASMN1; SMN2EGFR
SCHEMBL17023015 0.81 L3MBTL1 (0.54) FGFR3L3MBTL1RAB9ASMN1; SMN2EGFR
SCHEMBL17023052 0.79 FGFR3 (0.57) FGFR3
SCHEMBL4332010 0.77 FGFR3 (0.53) FGFR3L3MBTL1ALDH1A1HSD17B10ACVRL1
SCHEMBL17023144 0.76 FGFR3 (0.58) FGFR3ALDH1A1MAPTKMT2AMEN1
SCHEMBL17023072 0.74 GAA (0.53) RAB9AALDH1A1MAPTKMT2AUSP2
SCHEMBL29739477 0.73 GAA (0.68) L3MBTL1RAB9ASMN1; SMN2EGFRALDH1A1

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