SCHEMBL1127069

SCHEMBL1127069

CN(C)CCOc1ccc(N)cc1.COc1ccc(Cl)c(-c2ccc(C(=O)Nc3ncc[nH]3)c3nccnc23)c1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FGFR3 P22607 10/20 0.49
HPGDS O60760 1/20 0.40
PAICS P22234 1/20 0.39
PTGES O14684 4/20 0.38
SCN10A Q9Y5Y9 3/20 0.38
SCN1A P35498 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
KDR P35968 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
SCHEMBL3348914 0.91 FGFR3 (0.42) FGFR3HPGDSPAICSPTGESSCN10A
SCHEMBL1126508 0.88 HPGDS (0.49) FGFR3HPGDSPTGESSCN10ASCN1A
SCHEMBL12678307 0.85 FGFR3 (0.52) FGFR3KDR
SCHEMBL1126337 0.83 FGFR3 (0.42) FGFR3PTGESKDR
SCHEMBL3352671 0.81 FGFR3 (0.44) FGFR3PTGESKDR
SCHEMBL3346853 0.78 FGFR3 (0.48) FGFR3HPGDS
SCHEMBL3346457 0.76 FGFR3 (0.38) FGFR3
SCHEMBL17023037 0.75 HPGDS (0.44) FGFR3HPGDSPTGESSCN10ASCN1A
SCHEMBL17023106 0.75 HRH3 (0.47) FGFR3PAICSKDR
SCHEMBL3350442 0.73 FGFR3 (0.54) FGFR3

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-A1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS Novartis AG (CH) 2011-02-16 EP claimed