SCHEMBL6237214

SCHEMBL6237214

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

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.79
ERBB2 P04626 19/20 0.79

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
SCHEMBL6269172 1.00 EGFR (0.79) EGFRERBB2
SCHEMBL6234591 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6234585 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6232809 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6241265 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6232803 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6233645 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6236236 0.91 EGFR (0.79) EGFRERBB2
SCHEMBL6237086 0.90 EGFR (0.90) EGFRERBB2
SCHEMBL6235522 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