SCHEMBL6231711

SCHEMBL6231711

CCNC(=O)O[C@H]1CN[C@@H](C#Cc2cc3c(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)ncnc3s2)C1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.66
ERBB2 P04626 19/20 0.66

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
SCHEMBL6232994 1.00 EGFR (0.66) EGFRERBB2
SCHEMBL6239728 1.00 EGFR (0.66) EGFRERBB2
SCHEMBL6239821 1.00 EGFR (0.66) EGFRERBB2
SCHEMBL6233951 1.00 EGFR (0.66) EGFRERBB2
SCHEMBL6233850 0.94 ERBB2 (0.64) EGFRERBB2
SCHEMBL6239671 0.94 ERBB2 (0.64) EGFRERBB2
SCHEMBL6235364 0.94 ERBB2 (0.64) EGFRERBB2
SCHEMBL6235361 0.94 ERBB2 (0.64) EGFRERBB2
SCHEMBL6239235 0.94 ERBB2 (0.64) EGFRERBB2
SCHEMBL6235071 0.91 EGFR (0.79) 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