SCHEMBL1420006

SCHEMBL1420006

CC(C)(C)C(=O)OCOC(=O)C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 10/20 0.71
FYN P06241 1/20 0.62
SRC P12931 1/20 0.62
BLK P51451 1/20 0.62
BMX P51813 1/20 0.62
JAK3 P52333 1/20 0.62
BTK Q06187 1/20 0.62
ERBB4 Q15303 1/20 0.62

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
SCHEMBL1420005 1.00 EGFR (0.79) EGFRERBB2FYNSRCBLK
SCHEMBL2990560 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL7208199 0.88 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2986126 0.82 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL6586413 0.81 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL1417861 0.81 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL1417862 0.81 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2988658 0.81 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2988661 0.81 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2994192 0.81 EGFR (0.86) 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