SCHEMBL7236852

SCHEMBL7236852

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.66
ERBB2 P04626 15/20 0.66
ERBB4 Q15303 8/20 0.66
JAK3 P52333 4/20 0.66
CHEK2 O96017 1/20 0.56
ROS1 P08922 1/20 0.56
FLT3 P36888 1/20 0.56
AURKB Q96GD4 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
MKNK2 Q9HBH9 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
SCHEMBL7237255 0.93 EGFR (0.64) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7240419 0.93 EGFR (0.64) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7239555 0.93 EGFR (0.64) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7239082 0.90 ERBB2 (0.78) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7233918 0.90 EGFR (0.70) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7244619 0.90 EGFR (0.77) EGFRERBB2ERBB4JAK3
SCHEMBL7233840 0.90 EGFR (0.62) EGFRERBB2ERBB4JAK3CHEK2
SCHEMBL7236418 0.88 EGFR (0.81) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7236415 0.88 EGFR (0.81) EGFRERBB2ERBB4CHEK2ROS1
SCHEMBL7233054 0.88 ERBB2 (0.64) EGFRERBB2ERBB4JAK3CHEK2

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 5 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
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed