SCHEMBL1418660

SCHEMBL1418660

CC(C)(C)OC(=O)N1CCC(Oc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 17/20 0.61
▸ FBP1 P09467 1/20 0.59
▸ EPHA2 P29317 1/20 0.56
▸ ERBB2 P04626 2/20 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
SCHEMBL1418029 0.90 FBP1 (0.62) EGFRFBP1EPHA2ERBB2
SCHEMBL1417927 0.89 FBP1 (0.61) EGFRFBP1EPHA2
SCHEMBL1417823 0.89 FBP1 (0.60) EGFRFBP1EPHA2
SCHEMBL7849884 0.88 FBP1 (0.60) EGFRFBP1EPHA2ERBB2
SCHEMBL3583792 0.87 EGFR (0.70) EGFRFBP1ERBB2
SCHEMBL1419005 0.85 FBP1 (0.62) EGFRFBP1EPHA2ERBB2
SCHEMBL1419031 0.85 FBP1 (0.61) EGFRFBP1EPHA2ERBB2
SCHEMBL1418998 0.83 FBP1 (0.64) EGFRFBP1ERBB2
SCHEMBL1418282 0.82 EGFR (0.69) EGFRFBP1ERBB2
SCHEMBL29382629 0.80 EGFR (0.46) EGFREPHA2ERBB2

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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