SCHEMBL6234675

SCHEMBL6234675

CN(C)C(=O)O[C@H]1CN[C@H](C#Cc2cc3c(Nc4ccc(S(=O)(=O)c5cccc(F)c5)c(Cl)c4)ncnc3s2)C1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 19/20 0.62

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
SCHEMBL6234677 1.00 EGFR (0.62) EGFRERBB2
SCHEMBL6236303 0.91 EGFR (0.75) EGFRERBB2
SCHEMBL6236309 0.91 EGFR (0.75) EGFRERBB2
SCHEMBL6239927 0.91 EGFR (0.75) EGFRERBB2
SCHEMBL6234317 0.88 EGFR (0.64) EGFRERBB2
SCHEMBL6234313 0.88 EGFR (0.64) EGFRERBB2
SCHEMBL6238295 0.88 EGFR (0.64) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6238672 0.86 EGFR (0.60) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6238585 0.86 EGFR (0.60) EGFRERBB2
SCHEMBL6236048 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

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