SCHEMBL2097408

SCHEMBL2097408

COc1cc2c(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)ccnc2cc1OCC1(N(Cc2ccccc2)C(=O)O)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.72
AURKA O14965 15/20 0.72
TEK Q02763 15/20 0.72
MET P08581 13/20 0.72
LCK P06239 12/20 0.72
AURKB Q96GD4 10/20 0.72
LYN P07948 3/20 0.72
ABL1 P00519 1/20 0.72
FGR P09769 1/20 0.72
FLT1 P17948 3/20 0.63
FGFR1 P11362 2/20 0.63
FGFR2 P21802 2/20 0.63
FLT4 P35916 2/20 0.63
PDXK O00764 1/20 0.63
RIPK2 O43353 1/20 0.63
RET P07949 1/20 0.63
PDGFRB P09619 1/20 0.63
FGFR3 P22607 1/20 0.63
DDR1 Q08345 1/20 0.63
DDR2 Q16832 1/20 0.63

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
SCHEMBL14837779 0.93 KDR (0.74) KDRAURKATEKMETLCK
SCHEMBL2096054 0.90 KDR (0.81) KDRAURKATEKMETLCK
SCHEMBL28430564 0.89 KDR (0.73) KDRAURKATEKMETLCK
SCHEMBL2098714 0.88 KDR (0.76) KDRAURKATEKMETLCK
SCHEMBL2098854 0.87 KDR (0.75) KDRAURKATEKMETLCK
SCHEMBL2097763 0.85 KDR (0.83) KDRAURKATEKMETLCK
SCHEMBL2746021 0.85 KDR (1.00) KDRAURKATEKMETLCK
SCHEMBL2098367 0.84 KDR (0.70) KDRAURKATEKMETLCK
SCHEMBL2101349 0.83 KDR (0.81) KDRAURKATEKMETLCK
SCHEMBL2098716 0.83 KDR (0.77) KDRAURKATEKMETLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125777-B1 SPIRO SUBSTITUTED COMPOUNDS AS ANGIOGENESIS INHIBITORS ADVENCHEN LAB LLC (US) 2013-04-10 EP claimed
US-8163923-B2 Benzyl 1-((6-methoxy-4-(5-(methylcarbamoyl)naphthalen-2-yloxy)quinolin-7-yloxy)methyl)cyclo-propylcarbamate; cancers associated with protein tyrosine kinases ADVENCHEN LABORATORIES, LLC (US) 2012-04-24 US claimed