SCHEMBL1419005

SCHEMBL1419005

CC(C)(C)OC(=O)N1CCN(CCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 1/20 0.62
▸ EGFR P00533 18/20 0.59
▸ EPHA2 P29317 1/20 0.55
▸ ERBB2 P04626 1/20 0.49

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
SCHEMBL1419031 0.96 FBP1 (0.61) FBP1EGFREPHA2ERBB2
SCHEMBL1417927 0.89 FBP1 (0.61) FBP1EGFREPHA2
SCHEMBL1417823 0.89 FBP1 (0.60) FBP1EGFREPHA2
SCHEMBL7848130 0.89 FBP1 (0.60) FBP1EGFRERBB2
SCHEMBL1418029 0.87 FBP1 (0.62) FBP1EGFREPHA2ERBB2
SCHEMBL7002110 0.86 EGFR (0.61) EGFR
SCHEMBL1418660 0.85 EGFR (0.61) FBP1EGFREPHA2ERBB2
SCHEMBL1417808 0.85 FBP1 (0.68) FBP1EGFRERBB2
SCHEMBL1418418 0.84 FBP1 (0.68) FBP1EGFR
SCHEMBL7849884 0.84 FBP1 (0.60) FBP1EGFREPHA2ERBB2

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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