SCHEMBL7236302

SCHEMBL7236302

O=C(C=CC(F)(F)F)Nc1cc2c(Nc3ccc(Cc4ccsc4)c(Cl)c3)ncnc2cn1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.54
ERBB2 P04626 16/20 0.54
ERBB4 Q15303 11/20 0.53
JAK3 P52333 5/20 0.52
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL7243376 0.91 EGFR (0.56) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7237029 0.81 EGFR (0.57) EGFRERBB2ERBB4JAK3
SCHEMBL7236423 0.77 EGFR (0.49) EGFRERBB2ERBB4JAK3
SCHEMBL7233840 0.74 EGFR (0.62) EGFRERBB2ERBB4JAK3
SCHEMBL7242452 0.74 EGFR (0.53) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7243116 0.74 EGFR (0.71) EGFRERBB2ERBB4JAK3
SCHEMBL7122165 0.73 EGFR (0.61) EGFRERBB2ERBB4JAK3
SCHEMBL7234149 0.73 EGFR (0.66) EGFRERBB2ERBB4JAK3
SCHEMBL16994110 0.71 EGFR (0.69) EGFRERBB2ERBB4JAK3MEN1
SCHEMBL7220061 0.71 EGFR (0.79) EGFRERBB2ERBB4JAK3MEN1

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