SCHEMBL4191995

SCHEMBL4191995

C=CC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.69
ERBB2 P04626 7/20 0.69
FYN P06241 1/20 0.69
SRC P12931 1/20 0.69
BLK P51451 1/20 0.69
BMX P51813 1/20 0.69
JAK3 P52333 1/20 0.69
BTK Q06187 1/20 0.69
ERBB4 Q15303 1/20 0.69
FBP1 P09467 1/20 0.61

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
SCHEMBL4187418 0.92 EGFR (0.69) EGFRERBB2FYNSRCBLK
SCHEMBL8434638 0.87 EGFR (0.64) EGFRERBB2FYNSRCBLK
SCHEMBL8430947 0.87 EGFR (0.64) EGFRERBB2FYNSRCBLK
SCHEMBL2990711 0.83 EGFR (0.72) EGFRERBB2FYNSRCBLK
SCHEMBL8430949 0.82 EGFR (0.60) EGFRERBB2FYNSRCBLK
SCHEMBL2680536 0.82 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL8150558 0.82 EGFR (0.76) EGFRERBB2FYNSRCJAK3
SCHEMBL29359583 0.82 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL3663489 0.81 EGFR (1.00) EGFRERBB2SRCERBB4FBP1
SCHEMBL2995335 0.80 EGFR (0.80) EGFRERBB2FYNSRCBLK

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-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