SCHEMBL6493838

SCHEMBL6493838

CCOC(=O)C1CCCN(CCCNC(=O)/C=C/C(=O)Nc2cc3c(Nc4cccc(Br)c4)ncnc3cc2OC)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54
ERBB2 P04626 10/20 0.54
ERBB4 Q15303 3/20 0.49
ERBB3 P21860 1/20 0.49
JAK3 P52333 1/20 0.48

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
SCHEMBL6493844 1.00 EGFR (0.54) EGFRERBB2ERBB4ERBB3JAK3
SCHEMBL6495498 0.93 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6495493 0.93 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6500373 0.89 EGFR (0.52) EGFRERBB2
SCHEMBL1418433 0.89 EGFR (0.52) EGFRERBB2
SCHEMBL1418184 0.87 EGFR (0.61) EGFRERBB2
SCHEMBL1418187 0.87 EGFR (0.61) EGFRERBB2
SCHEMBL1417995 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL6493830 0.83 EGFR (0.54) EGFRERBB2
SCHEMBL6505169 0.83 EGFR (0.66) EGFRERBB2ERBB4ERBB3JAK3

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