SCHEMBL13587178

SCHEMBL13587178

COc1cc2nccc(Oc3ccc4[nH]c(C(=O)Nc5ccccc5)cc4c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.69
PDGFRA P16234 5/20 0.65
AXL P30530 2/20 0.62
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
KIT P10721 2/20 0.60
MET P08581 2/20 0.59
FGFR2 P21802 2/20 0.59
AURKA O14965 1/20 0.59
LCK P06239 1/20 0.59
CSF1R P07333 1/20 0.59
BRAF P15056 1/20 0.59
FLT1 P17948 1/20 0.59
FLT4 P35916 1/20 0.59
TEK Q02763 1/20 0.59
AURKB Q96GD4 1/20 0.59

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
SCHEMBL13587182 0.94 KDR (0.66) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587177 0.92 PDGFRA (0.66) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587181 0.91 KDR (0.69) KDRPDGFRAAXLMETFGFR2
SCHEMBL13587183 0.91 KDR (0.72) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587179 0.90 KDR (0.62) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587184 0.89 KDR (0.70) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587188 0.88 KDR (0.55) KDRPDGFRAAXLCYP3A4CYP2D6
SCHEMBL13587180 0.88 KDM4E (0.66) KDRPDGFRAAXLCYP3A4KIT
SCHEMBL4368591 0.86 PDGFRA (0.58) KDRPDGFRAKITMETFGFR2
SCHEMBL13587189 0.86 KDR (0.54) KDRPDGFRACYP3A4CYP2D6MET

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
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed
US-7626030-B2 Compounds and methods of use AMGEN INC. (US) 2009-12-01 US disclosed