SCHEMBL6585840

SCHEMBL6585840

CCN(CC)CC=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 1.00
ERBB2 P04626 13/20 1.00
FYN P06241 1/20 0.67
SRC P12931 1/20 0.67
BLK P51451 1/20 0.67
BMX P51813 1/20 0.67
JAK3 P52333 1/20 0.67
BTK Q06187 1/20 0.67
ERBB4 Q15303 1/20 0.67

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
SCHEMBL30115294 1.00 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL867890 0.92 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL30115339 0.92 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL867889 0.92 EGFR (1.00) EGFRERBB2FYNSRCBLK
SCHEMBL16882294 0.90 EGFR (0.82) EGFRERBB2FYNSRCBLK
SCHEMBL1418149 0.89 EGFR (0.80) EGFRERBB2
SCHEMBL1418151 0.89 EGFR (0.80) EGFRERBB2
SCHEMBL1418064 0.89 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL1418066 0.89 EGFR (0.81) EGFRERBB2FYNSRCBLK
SCHEMBL30115309 0.89 EGFR (0.81) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000039-B1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS WYETH CORP (US) 2004-06-09 EP claimed