SCHEMBL1419947

SCHEMBL1419947

CCOP(=O)(CN1CCN(CCCOc2cc3ncnc(Nc4cccc(Br)c4)c3cc2[N+](=O)[O-])CC1)OCC

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.67
EGFR P00533 18/20 0.59
ERBB2 P04626 2/20 0.51
ERBB4 Q15303 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
SCHEMBL6505992 0.88 EGFR (0.57) FBP1EGFRERBB2ERBB4
SCHEMBL1418640 0.86 FBP1 (0.67) FBP1EGFRERBB2
SCHEMBL1417908 0.86 FBP1 (0.67) FBP1EGFRERBB2
SCHEMBL1417707 0.86 FBP1 (0.67) FBP1EGFRERBB2
SCHEMBL2994995 0.85 EGFR (0.68) FBP1EGFRERBB2
SCHEMBL1418195 0.85 FBP1 (0.67) FBP1EGFRERBB2
SCHEMBL1418074 0.84 FBP1 (0.64) FBP1EGFRERBB2
SCHEMBL1418255 0.83 EGFR (0.81) EGFRERBB2ERBB4
SCHEMBL1417820 0.83 EGFR (0.64) FBP1EGFRERBB2ERBB4
SCHEMBL1419031 0.82 FBP1 (0.61) FBP1EGFRERBB2

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