SCHEMBL14044952

SCHEMBL14044952

COc1cc2nccc(Oc3ccc4c(NC(=O)c5ccc(CF)cc5)cccc4c3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.66
AURKA O14965 8/20 0.61
LCK P06239 8/20 0.61
TEK Q02763 8/20 0.61
MET P08581 7/20 0.61
AURKB Q96GD4 6/20 0.61
CYP3A4 P08684 2/20 0.59
LYN P07948 2/20 0.59
CYP2D6 P10635 1/20 0.59
FLT1 P17948 1/20 0.59
ABL1 P00519 1/20 0.58

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
SCHEMBL2746928 0.91 KDR (0.69) KDRAURKALCKTEKMET
SCHEMBL2747611 0.91 KDR (0.72) KDRAURKALCKTEKMET
SCHEMBL2746336 0.90 KDR (0.72) KDRAURKALCKTEKMET
SCHEMBL2747364 0.89 KDR (0.72) KDRAURKALCKTEKMET
SCHEMBL4556673 0.89 KDR (0.66) KDRAURKALCKTEKMET
SCHEMBL2747380 0.89 KDR (0.75) KDRAURKALCKTEKMET
SCHEMBL2746837 0.89 KDR (0.66) KDRAURKALCKTEKMET
SCHEMBL2747703 0.89 KDR (0.72) KDRAURKALCKTEKMET
SCHEMBL4549024 0.89 KDR (0.68) KDRAURKALCKTEKMET
SCHEMBL4549015 0.89 KDR (0.71) KDRAURKALCKTEKMET

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
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed