SCHEMBL17023125

SCHEMBL17023125

CN1CCN(c2ccc(NC(=O)Oc3ccc(-c4cccc5ccccc45)c4nccnc34)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.43
ROCK2 O75116 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 2/20 0.41
FGFR3 P22607 3/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DGAT1 O75907 1/20 0.40
PIK3CA P42336 1/20 0.39
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MTOR P42345 1/20 0.38
JAK2 O60674 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
SCHEMBL17023034 0.92 FGFR3 (0.49) L3MBTL1RAB9AHSP90AA1ROCK2SMN1; SMN2
SCHEMBL17023072 0.89 GAA (0.53) RAB9AHSP90AA1GAANPSR1KDM4E
SCHEMBL1126897 0.86 L3MBTL1 (0.58) L3MBTL1RAB9ASMN1; SMN2EGFRFGFR3
SCHEMBL17023016 0.86 FGFR3 (0.49) L3MBTL1RAB9ASMN1; SMN2EGFRFGFR3
SCHEMBL17023015 0.85 L3MBTL1 (0.54) L3MBTL1RAB9AHSP90AA1SMN1; SMN2EGFR
SCHEMBL17023116 0.82 L3MBTL1 (0.48) L3MBTL1RAB9ASMN1; SMN2EGFRFGFR3
SCHEMBL1126691 0.78 FGFR3 (0.63) L3MBTL1RAB9ASMN1; SMN2EGFRFGFR3
SCHEMBL17023017 0.77 FGFR3 (0.65) FGFR3
SCHEMBL17023065 0.76 FGFR3 (0.48) L3MBTL1FGFR3KDM4ETSHRHSD17B10
SCHEMBL29739477 0.75 GAA (0.68) L3MBTL1RAB9ASMN1; SMN2EGFRGAA

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