SCHEMBL1504819

SCHEMBL1504819

COc1cc2c(Nc3ccc4nc(NC(=O)Nc5ccccc5C)sc4c3)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
KDR P35968 17/20 0.79
AURKA O14965 9/20 0.64
TEK Q02763 9/20 0.64
PDGFRB P09619 8/20 0.64
AURKB Q96GD4 8/20 0.64
ERBB2 P04626 8/20 0.64
FLT4 P35916 6/20 0.64

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
SCHEMBL3947704 0.95 EGFR (0.79) EGFRKDRAURKATEKPDGFRB
SCHEMBL2189126 0.95 EGFR (0.70) EGFRKDRAURKATEKPDGFRB
Acetic Acid SCHEMBL1504854 0.93 EGFR (0.68) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504965 0.92 EGFR (0.67) EGFRKDRAURKATEKPDGFRB
4Sc-203 SCHEMBL1505017 0.91 EGFR (0.64) EGFRKDRAURKATEKPDGFRB
4Sc-203 SCHEMBL29370845 0.91 EGFR (0.64) EGFRKDRAURKATEKPDGFRB
SCHEMBL1505042 0.91 EGFR (0.64) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504846 0.90 EGFR (0.67) EGFRKDRAURKATEKPDGFRB
SCHEMBL3946261 0.90 EGFR (0.70) EGFRKDRAURKATEKPDGFRB
SCHEMBL1504849 0.89 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