SCHEMBL13587182

SCHEMBL13587182

COc1ccc(NC(=O)c2cc3cc(Oc4ccnc5cc(OC)c(OC)cc45)ccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.66
PDGFRA P16234 7/20 0.66
AXL P30530 3/20 0.60
FGFR2 P21802 2/20 0.59
AURKA O14965 1/20 0.59
LCK P06239 1/20 0.59
CSF1R P07333 1/20 0.59
MET P08581 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
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TP53 P04637 1/20 0.58
KIT P10721 1/20 0.56

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
SCHEMBL13587181 0.94 KDR (0.69) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587178 0.94 KDR (0.69) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587177 0.91 PDGFRA (0.66) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587188 0.90 KDR (0.55) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587183 0.88 KDR (0.72) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587179 0.87 KDR (0.62) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587189 0.87 KDR (0.54) KDRPDGFRAFGFR2AURKALCK
SCHEMBL13587184 0.86 KDR (0.70) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL13587187 0.86 KDR (0.69) KDRPDGFRAAXLFGFR2AURKA
SCHEMBL4368591 0.85 PDGFRA (0.58) KDRPDGFRAFGFR2AURKALCK

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