SCHEMBL7236177

SCHEMBL7236177

CN(C)CCCNC(=O)C=CC(=O)Nc1cc2c(Nc3ccc(-c4cc(Cl)ccn4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.66
ERBB2 P04626 14/20 0.66
ERBB4 Q15303 8/20 0.58
JAK3 P52333 4/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4187462 0.88 EGFR (0.75) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7240611 0.83 EGFR (0.54) EGFRERBB2ERBB4JAK3
SCHEMBL7235412 0.81 EGFR (0.63) EGFRERBB2ERBB4JAK3
SCHEMBL4194568 0.80 EGFR (1.00) EGFRERBB2
SCHEMBL7238660 0.79 EGFR (0.75) EGFRERBB2ERBB4JAK3
SCHEMBL7126674 0.79 EGFR (0.70) EGFRERBB2ERBB4JAK3
SCHEMBL4201064 0.78 EGFR (0.72) EGFRERBB2ERBB4
SCHEMBL7221059 0.78 EGFR (0.62) EGFRERBB2ERBB4JAK3
SCHEMBL7240784 0.78 EGFR (0.70) EGFRERBB2ERBB4JAK3
SCHEMBL7219974 0.77 EGFR (0.61) 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 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
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