SCHEMBL1417992

SCHEMBL1417992

CCOC(=O)CN(CC=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)c(C#N)cnc2cc1OC)CC(=O)OCC

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.80
ERBB2 P04626 19/20 0.80

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
SCHEMBL1417990 1.00 EGFR (0.80) EGFRERBB2
SCHEMBL1418630 0.97 EGFR (0.78) EGFRERBB2
SCHEMBL1418628 0.97 EGFR (0.78) EGFRERBB2
SCHEMBL1417860 0.95 EGFR (0.82) EGFRERBB2
SCHEMBL1417858 0.95 EGFR (0.82) EGFRERBB2
SCHEMBL6380477 0.92 EGFR (0.86) EGFRERBB2
SCHEMBL1418422 0.89 EGFR (0.67) EGFRERBB2
SCHEMBL1418420 0.89 EGFR (0.67) EGFRERBB2
SCHEMBL6384606 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL6383772 0.87 EGFR (0.88) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298746-A1 4-amino- quinazoline and quinoline derivatives having an inhibitory effect on signal transduction mediated by tyrosine kinases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2011-03-23 EP disclosed
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