SCHEMBL6233864

SCHEMBL6233864

NC(=O)O[C@H]1CN[C@@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)C1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.83
ERBB2 P04626 19/20 0.83

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
SCHEMBL6233249 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL6232622 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL6234836 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL6232629 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL6236048 0.92 EGFR (0.84) EGFRERBB2
SCHEMBL6235476 0.91 EGFR (0.84) EGFRERBB2
SCHEMBL6235759 0.91 EGFR (0.84) EGFRERBB2
SCHEMBL6238171 0.91 EGFR (0.84) EGFRERBB2
SCHEMBL6234195 0.91 EGFR (0.84) EGFRERBB2
SCHEMBL6234199 0.91 EGFR (0.84) EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed