SCHEMBL6235876

SCHEMBL6235876

O=C(O[C@@H]1CN[C@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)C1)N1CCOCC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.85
ERBB2 P04626 19/20 0.85

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
SCHEMBL6235418 1.00 EGFR (0.85) EGFRERBB2
SCHEMBL6235412 1.00 EGFR (0.85) EGFRERBB2
SCHEMBL6238425 1.00 EGFR (0.85) EGFRERBB2
SCHEMBL6238661 0.95 EGFR (0.84) EGFRERBB2
SCHEMBL6239228 0.95 EGFR (0.84) EGFRERBB2
SCHEMBL6235651 0.95 EGFR (0.84) EGFRERBB2
SCHEMBL6235649 0.95 EGFR (0.84) EGFRERBB2
Gw869810X SCHEMBL6236620 0.92 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6236559 0.92 EGFR (1.00) EGFRERBB2
Gw869810X SCHEMBL6234664 0.92 EGFR (1.00) 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