SCHEMBL1505016

SCHEMBL1505016

COc1ccccc1CNC(=O)Nc1nc2ccc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)cc2s1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.64
KDR P35968 15/20 0.64
AURKA O14965 14/20 0.61
TEK Q02763 14/20 0.61
PDGFRB P09619 13/20 0.61
AURKB Q96GD4 13/20 0.61
ERBB2 P04626 12/20 0.61
FLT4 P35916 9/20 0.61

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
SCHEMBL1504841 0.94 EGFR (0.66) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504987 0.90 EGFR (0.67) EGFRKDRAURKATEKPDGFRB
SCHEMBL2189126 0.90 EGFR (0.70) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504860 0.89 EGFR (0.64) EGFRKDRAURKATEKPDGFRB
Acetic Acid SCHEMBL1504854 0.89 EGFR (0.68) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504960 0.88 EGFR (0.69) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504819 0.88 EGFR (0.79) EGFRKDRAURKATEKPDGFRB
SCHEMBL2190460 0.88 EGFR (0.78) EGFRKDRAURKATEKPDGFRB
SCHEMBL2190824 0.88 EGFR (0.78) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504965 0.87 EGFR (0.67) 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