SCHEMBL6237202

SCHEMBL6237202

O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5cc(F)ccc5F)c4)c3s2)C1)N1CCCCC1

nearest known ligand 0.89

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.89
ERBB2 P04626 19/20 0.89

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
SCHEMBL6271466 1.00 EGFR (0.89) EGFRERBB2
SCHEMBL6237086 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6235522 0.99 EGFR (0.90) EGFRERBB2
SCHEMBL6240354 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL6236444 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL6237208 0.91 EGFR (0.89) EGFRERBB2
SCHEMBL6238439 0.90 EGFR (0.90) EGFRERBB2
SCHEMBL6237863 0.90 EGFR (0.90) EGFRERBB2
SCHEMBL6237866 0.90 EGFR (0.90) EGFRERBB2
SCHEMBL6239041 0.90 EGFR (0.90) 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