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Sugi Predict / Compounds / SCHEMBL1505042

SCHEMBL1505042

SCHEMBL1505042

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5ccccc5OC(F)(F)F)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.64
▸ KDR P35968 15/20 0.64
▸ AURKA O14965 10/20 0.61
▸ PDGFRB P09619 10/20 0.61
▸ TEK Q02763 10/20 0.61
▸ AURKB Q96GD4 9/20 0.61
▸ ERBB2 P04626 7/20 0.60
▸ FLT4 P35916 5/20 0.60

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
SCHEMBL3953281 0.95 EGFR (0.64) EGFRKDRAURKAPDGFRBTEK
SCHEMBL2189126 0.94 EGFR (0.70) EGFRKDRAURKAPDGFRBTEK
Acetic Acid SCHEMBL1504854 0.93 EGFR (0.68) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504819 0.91 EGFR (0.79) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504965 0.90 EGFR (0.67) EGFRKDRAURKAPDGFRBTEK
SCHEMBL3946261 0.89 EGFR (0.70) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504846 0.88 EGFR (0.67) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504816 0.88 EGFR (0.67) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504893 0.87 EGFR (0.66) EGFRKDRAURKAPDGFRBTEK
SCHEMBL1504960 0.87 EGFR (0.69) EGFRKDRAURKAPDGFRBTEK

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-2011033094-A1 SCHEDULE OF ADMINISTRATION OF BENZAZOLE DERIVATIVES IN THE TREATMENT OF LEUKEMIAS 4SC AG (DE) 2011-03-24 — — WO claimed