SCHEMBL1418116

SCHEMBL1418116

C=CC(=O)Nc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCN(C)CC(=O)OCC

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.75
▸ ERBB2 P04626 1/20 0.62
▸ KDR P35968 11/20 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
SCHEMBL1418675 0.96 EGFR (0.76) EGFRERBB2KDR
SCHEMBL1418198 0.96 EGFR (0.80) EGFRERBB2KDR
SCHEMBL1417998 0.89 EGFR (0.73) EGFRERBB2KDR
SCHEMBL4230930 0.89 EGFR (0.67) EGFRERBB2KDR
SCHEMBL1417983 0.88 EGFR (0.63) EGFRERBB2KDR
SCHEMBL1417985 0.88 EGFR (0.63) EGFRERBB2KDR
SCHEMBL1418733 0.86 EGFR (0.76) EGFRERBB2KDR
SCHEMBL2987786 0.86 EGFR (1.00) EGFRERBB2KDR
SCHEMBL4232040 0.86 KDR (0.67) EGFRERBB2KDR
SCHEMBL1418926 0.86 EGFR (0.59) EGFRERBB2KDR

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 4 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
EP-1157011-A1 4-AMINO- QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES Boehringer Ingelheim Pharma KG (DE) 2001-11-28 — — EP disclosed
WO-2000051991-A1 4-AMINO-QUINAZOLINE AND QUINOLINE DERIVATIVES HAVING AN INHIBITORY EFFECT ON SIGNAL TRANsSDUCTION MEDIATED BY TYROSINE KINASES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-08 — — WO disclosed
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