SCHEMBL19633688

SCHEMBL19633688

COc1cc(COc2ccc3c(Oc4cccc([N+](=O)[O-])c4)ccnc3c2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.52
PDGFRA P16234 2/20 0.52
MAOB P27338 3/20 0.45
AURKA O14965 1/20 0.43
MET P08581 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43
EGFR P00533 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL19633823 0.91 PDGFRA (0.52) KDRPDGFRAMAOBAURKAMET
SCHEMBL19633706 0.91 PDGFRA (0.57) KDRPDGFRAMAOBMET
SCHEMBL19633577 0.90 KDR (0.50) KDRPDGFRAMAOBAURKAMET
SCHEMBL19633697 0.86 GAK (0.53) KDRPDGFRAAURKAMETTEK
SCHEMBL19633777 0.84 GAK (0.57) KDRPDGFRAEGFR
SCHEMBL7482913 0.80 PDGFRA (0.68) KDRPDGFRAEGFR
SCHEMBL19633698 0.80 TUBB1 (0.57) METEGFR
SCHEMBL19633797 0.78 CYP19A1 (0.47) KDRPDGFRA
SCHEMBL12003929 0.77 CTSV (0.50) KDRPDGFRAMAOB
SCHEMBL19633713 0.76 GAK (0.49) KDRPDGFRAEGFR

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
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed