SCHEMBL7239082

SCHEMBL7239082

C=CC(=O)Nc1cc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2cn1

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.78
EGFR P00533 14/20 0.78
ERBB4 Q15303 4/20 0.60
JAK3 P52333 2/20 0.60
FYN P06241 3/20 0.58
SRC P12931 3/20 0.58
CHEK2 O96017 1/20 0.57
ROS1 P08922 1/20 0.57
FLT3 P36888 1/20 0.57
AURKB Q96GD4 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
MKNK2 Q9HBH9 1/20 0.57
VCP P55072 1/20 0.56

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
SCHEMBL7233054 0.90 ERBB2 (0.64) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7239555 0.90 EGFR (0.64) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7236852 0.90 EGFR (0.66) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7240419 0.90 EGFR (0.64) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7233840 0.89 EGFR (0.62) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7241722 0.89 EGFR (0.76) ERBB2EGFRERBB4JAK3FYN
SCHEMBL7237255 0.88 EGFR (0.64) ERBB2EGFRERBB4JAK3CHEK2
SCHEMBL7234888 0.88 EGFR (1.00) ERBB2EGFRERBB4JAK3FYN
SCHEMBL7243934 0.86 EGFR (0.85) ERBB2EGFRERBB4FYNSRC
SCHEMBL7233918 0.85 EGFR (0.70) ERBB2EGFRERBB4JAK3CHEK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US claimed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed