SCHEMBL2329031

SCHEMBL2329031

COc1cc2nccc(Oc3c(F)cccc3NC(=O)CN(C)Cc3ccccc3)c2cc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.52
PDGFRA P16234 6/20 0.52
MET P08581 8/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KIT P10721 1/20 0.47
HDAC1 Q13547 1/20 0.47
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL371736 0.84 MET (0.69) KDRPDGFRAMET
SCHEMBL14419321 0.83 MET (0.55) KDRPDGFRAMETKIT
SCHEMBL409601 0.80 MET (0.68) KDRPDGFRAMETKITHDAC1
SCHEMBL377281 0.79 MET (0.53) KDRPDGFRAMETKIT
SCHEMBL4610260 0.78 MET (0.55) KDRPDGFRAMETHDAC1
SCHEMBL371761 0.76 MET (0.59) KDRPDGFRAMET
SCHEMBL372193 0.76 MET (0.67) KDRPDGFRAMET
SCHEMBL371702 0.74 MET (0.67) KDRPDGFRAMET
SCHEMBL5204832 0.72 KDR (0.62) KDRPDGFRAMETKIT
SCHEMBL3906011 0.72 KDR (0.54) KDRPDGFRAMET

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-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed