SCHEMBL6239765

SCHEMBL6239765

O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(COc5cccc(F)c5)c(Cl)c4)c3s2)C1)N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.80
ERBB2 P04626 19/20 0.80

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
SCHEMBL6239775 1.00 EGFR (0.80) EGFRERBB2
Gw869810X SCHEMBL30467432 0.89 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6235488 0.89 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6236620 0.89 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6236559 0.89 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6234664 0.89 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6234669 0.89 EGFR (1.00) EGFRERBB2
SCHEMBL6239364 0.88 EGFR (0.73) EGFRERBB2
SCHEMBL6239358 0.88 EGFR (0.73) EGFRERBB2
SCHEMBL6236323 0.87 EGFR (0.78) 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