SCHEMBL5310071

SCHEMBL5310071

COc1cc2nccc(Oc3cncc(NC(=O)Nc4ccccc4)c3)c2cc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 15/20 0.65
▸ PDGFRA P16234 14/20 0.65
▸ RET P07949 1/20 0.59
▸ AURKA O14965 1/20 0.56
▸ MET P08581 1/20 0.56
▸ TEK Q02763 1/20 0.56
▸ AURKB Q96GD4 1/20 0.56
▸ AXL P30530 2/20 0.56
▸ KIT P10721 1/20 0.52

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
SCHEMBL1895874 0.90 PDGFRA (0.81) KDRPDGFRARETAXLKIT
SCHEMBL1892278 0.86 AXL (0.71) KDRPDGFRARETMETAXL
SCHEMBL1889905 0.83 KDR (0.81) KDRPDGFRARETAURKAMET
SCHEMBL31218163 0.82 KDR (0.71) KDRPDGFRARETAURKAMET
SCHEMBL1892607 0.81 AXL (0.70) KDRPDGFRARETMETAXL
SCHEMBL29258973 0.80 AXL (0.81) KDRPDGFRARETAURKAMET
SCHEMBL1892648 0.79 PDGFRA (0.81) KDRPDGFRAMETAXL
SCHEMBL29079734 0.79 PDGFRA (0.63) KDRPDGFRARETAURKAMET
SCHEMBL7490931 0.79 PDGFRA (1.00) KDRPDGFRAKIT
SCHEMBL12411986 0.78 KDR (0.83) KDRPDGFRAAXLKIT

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
EP-1415987-B1 NITROGENOUS AROMATIC RING COMPOUNDS AS ANTI CANCER AGENTS EISAI R&D MAN CO LTD (JP) 2007-02-28 — — EP claimed
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