SCHEMBL6239927

SCHEMBL6239927

CN(C)C(=O)O[C@@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(S(=O)(=O)c5cccc(F)c5)c(Cl)c4)c3s2)C1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.75
ERBB2 P04626 20/20 0.75

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
SCHEMBL6236309 1.00 EGFR (0.75) EGFRERBB2
SCHEMBL6236303 1.00 EGFR (0.75) EGFRERBB2
SCHEMBL6234675 0.91 EGFR (0.62) EGFRERBB2
SCHEMBL6234677 0.91 EGFR (0.62) EGFRERBB2
SCHEMBL6232741 0.90 EGFR (0.76) EGFRERBB2
SCHEMBL6232734 0.90 EGFR (0.76) EGFRERBB2
SCHEMBL6233055 0.88 EGFR (0.76) EGFRERBB2
SCHEMBL6238529 0.88 EGFR (0.76) EGFRERBB2
SCHEMBL6233060 0.88 EGFR (0.76) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6236834 0.86 EGFR (0.72) 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