SCHEMBL4346100

SCHEMBL4346100

CN(C)CCCCC(F)(F)C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
ERBB2 P04626 12/20 0.73
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
SCHEMBL4194286 0.98 EGFR (0.74) EGFRERBB2FYNSRCBLK
SCHEMBL4187737 0.90 EGFR (0.74) EGFRERBB2
SCHEMBL4191758 0.88 EGFR (0.75) EGFRERBB2
SCHEMBL7214980 0.86 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL4187489 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL4187480 0.84 EGFR (0.72) EGFRERBB2
SCHEMBL2987362 0.84 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL2987364 0.84 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL7219991 0.83 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL4194478 0.83 EGFR (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892789-B2 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2009-11-18 EP claimed
EP-0892789-B1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER LAMBERT CO (US) 2002-02-27 EP claimed
US-6602863-B1 Irreversible inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY 2003-08-05 US disclosed