SCHEMBL2203252

SCHEMBL2203252

COc1cc2nccc(Oc3ncc(N(C(=O)CC(N)=O)c4ccccc4)cc3Cl)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.48
PDGFRA P16234 6/20 0.48
SRC P12931 2/20 0.47
TGFBR1 P36897 2/20 0.47
MET P08581 5/20 0.47
KIT P10721 1/20 0.46
AXL P30530 1/20 0.46
AURKA O14965 1/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
LYN P07948 1/20 0.46
TEK Q02763 1/20 0.46
AURKB Q96GD4 1/20 0.46
FGFR2 P21802 1/20 0.45

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
SCHEMBL2364278 0.93 KDR (0.52) KDRPDGFRAMETAURKAABL1
SCHEMBL20525857 0.91 KDR (0.50) KDRPDGFRASRCMETKIT
SCHEMBL372191 0.84 AXL (0.49) KDRPDGFRASRCTGFBR1MET
SCHEMBL20525836 0.82 AXL (0.49) KDRPDGFRASRCMETKIT
SCHEMBL3871200 0.82 MET (0.47) KDRPDGFRASRCTGFBR1MET
SCHEMBL2332118 0.81 MET (0.59) KDRPDGFRAMETKITAXL
SCHEMBL4419629 0.80 KDR (0.46) KDRPDGFRAMETKITAXL
SCHEMBL4414994 0.79 MET (0.58) KDRPDGFRASRCMETKIT
SCHEMBL372051 0.77 KDR (0.46) KDRPDGFRASRCTGFBR1MET
SCHEMBL2200836 0.77 AXL (0.47) KDRPDGFRASRCMETKIT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392565-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2014-03-19 EP disclosed
EP-2612853-A1 c-Met modulators and methods of use Exelixis Inc. (US) 2013-07-10 EP disclosed
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
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed