SCHEMBL7243805

SCHEMBL7243805

CC#CC(=O)Nc1cc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc2cn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.66
ERBB2 P04626 14/20 0.66
ERBB4 Q15303 12/20 0.66
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
JAK3 P52333 2/20 0.65
RIPK2 O43353 1/20 0.54
EPHB2 P29323 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.53
KDR P35968 1/20 0.53
TEK Q02763 1/20 0.53
PIK3CD O00329 1/20 0.49
CSF1R P07333 1/20 0.48

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
SCHEMBL7234949 0.89 EGFR (0.67) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7234328 0.89 ERBB2 (0.61) EGFRERBB2ERBB4MEN1KMT2A
SCHEMBL7243449 0.87 EGFR (0.70) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7244619 0.83 EGFR (0.77) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7241722 0.83 EGFR (0.76) EGFRERBB2ERBB4JAK3KDR
SCHEMBL7239962 0.83 EGFR (0.68) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7235040 0.83 EGFR (0.76) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7238659 0.82 EGFR (0.76) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7243201 0.82 EGFR (0.76) EGFRERBB2ERBB4JAK3RIPK2
SCHEMBL7239509 0.82 EGFR (0.72) EGFRERBB2ERBB4JAK3

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