SCHEMBL6493830

SCHEMBL6493830

COC(=O)C1CCCCN1CCCNC(=O)/C=C/C(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OC

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.54
ERBB2 P04626 9/20 0.54

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
SCHEMBL1417995 1.00 EGFR (0.54) EGFRERBB2
SCHEMBL6500373 0.93 EGFR (0.52) EGFRERBB2
SCHEMBL1418433 0.93 EGFR (0.52) EGFRERBB2
SCHEMBL1418611 0.87 EGFR (0.65) EGFRERBB2
SCHEMBL1418608 0.87 EGFR (0.65) EGFRERBB2
SCHEMBL6495493 0.84 EGFR (0.58) EGFRERBB2
SCHEMBL6495498 0.84 EGFR (0.58) EGFRERBB2
SCHEMBL6493844 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL6493838 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL4231234 0.83 KDR (0.64) EGFRERBB2

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
US-6972288-B1 4-amino-quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-12-06 US disclosed