SCHEMBL4332010

SCHEMBL4332010

CN1CCN(c2ccc(N)cn2)CC1.O=C(O)c1ccc(-c2csc3ccccc23)c2nccnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 3/20 0.53
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 1/20 0.43
ACVRL1 P37023 1/20 0.40
ACVR1 Q04771 1/20 0.40
HTR7 P34969 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC2 Q92769 3/20 0.36
ATR Q13535 1/20 0.35
HDAC10 Q969S8 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL4321851 0.83 L3MBTL1 (0.39) FGFR3ALDH1A1L3MBTL1KDM4EHDAC3
SCHEMBL12678295 0.83 FGFR3 (0.63) FGFR3ALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL1126390 0.79 FGFR3 (0.49) FGFR3ALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL4332007 0.79 FGFR3 (0.43) FGFR3ALDH1A1HSD17B10ACVRL1ACVR1
SCHEMBL17023016 0.77 FGFR3 (0.49) FGFR3ALDH1A1HSD17B10ACVRL1ACVR1
SCHEMBL3318023 0.73 FGFR3 (0.44) FGFR3ALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL12678289 0.70 FGFR3 (0.74) FGFR3
SCHEMBL3318017 0.70 FGFR3 (0.43) FGFR3ALDH1A1HSD17B10L3MBTL1KDM4E
SCHEMBL1126897 0.68 L3MBTL1 (0.58) FGFR3ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL29537043 0.68 GRIN2D (0.55) ALDH1A1L3MBTL1KDM4EMAPTKMT2A

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
WO-2009141386-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2009-11-26 WO claimed