SCHEMBL17023109

SCHEMBL17023109

CN(C)CCOc1ccc(NC(=O)Oc2ccc(-c3cncc4ccccc34)c3nccnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.41
HSP90AA1 P07900 1/20 0.41
FAAH O00519 9/20 0.41
FGFR3 P22607 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
CYP17A1 P05093 3/20 0.40
BCHE P06276 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL1126690 0.87 FGFR3 (0.51) HRH3FGFR3ABL1BCRCYP17A1
SCHEMBL17023135 0.83 FAAH (0.53) HRH3FAAH
SCHEMBL17023123 0.80 HRH3 (0.52) HRH3HSP90AA1FAAHBCHE
SCHEMBL17023180 0.77 NPC1 (0.49) FGFR3
SCHEMBL17023106 0.77 HRH3 (0.47) HRH3FGFR3ABL1BCRKDM4E
SCHEMBL17023129 0.76 FGFR3 (0.46) HSP90AA1FGFR3CYP17A1KDM4E
SCHEMBL17023093 0.76 FGFR3 (0.55) HRH3FGFR3
SCHEMBL17023034 0.75 FGFR3 (0.49) HSP90AA1FGFR3CYP17A1
SCHEMBL3346853 0.73 FGFR3 (0.48) FGFR3KDM4EALDH1A1
SCHEMBL17023142 0.72 FGFR3 (0.52) HSP90AA1FGFR3CYP17A1KDM4E

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