SCHEMBL1505014

SCHEMBL1505014

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5cccs5)sc4c3)ncnc2cc1OCCCN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.60
KDR P35968 16/20 0.60
AURKA O14965 9/20 0.56
TEK Q02763 9/20 0.56
PDGFRB P09619 8/20 0.56
AURKB Q96GD4 8/20 0.56
ERBB2 P04626 8/20 0.56
FLT4 P35916 6/20 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
SCHEMBL1504794 0.91 EGFR (0.71) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504807 0.89 EGFR (0.61) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504836 0.88 KDR (0.71) EGFRKDR
SCHEMBL1504945 0.87 EGFR (0.62) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504863 0.87 KDR (0.58) EGFRKDRFLT4
SCHEMBL2189126 0.86 EGFR (0.70) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504947 0.85 KDR (0.62) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504819 0.85 EGFR (0.79) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504816 0.85 EGFR (0.67) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504960 0.85 EGFR (0.69) EGFRKDRAURKATEKPDGFRB

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