SCHEMBL6233065

SCHEMBL6233065

O=C(O)N1CCC[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2s1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 20/20 0.67
EGFR P00533 18/20 0.67
ERBB4 Q15303 2/20 0.52
LCK P06239 1/20 0.49
ERBB3 P21860 1/20 0.49

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
SCHEMBL6236189 0.86 EGFR (0.89) ERBB2EGFRERBB4
SCHEMBL6239703 0.86 EGFR (0.89) ERBB2EGFRERBB4
Hydrochloric Acid SCHEMBL6232716 0.81 EGFR (0.73) ERBB2EGFRERBB4ERBB3
Hydrochloric Acid SCHEMBL6232736 0.81 EGFR (0.73) ERBB2EGFRERBB4ERBB3
SCHEMBL6240817 0.81 EGFR (0.62) ERBB2EGFRERBB4ERBB3
SCHEMBL6234723 0.81 EGFR (0.62) ERBB2EGFRERBB4ERBB3
SCHEMBL6237648 0.81 EGFR (1.00) ERBB2EGFRERBB4
SCHEMBL6236515 0.80 EGFR (0.71) ERBB2EGFR
SCHEMBL6237233 0.80 EGFR (0.87) ERBB2EGFRERBB4
SCHEMBL6234965 0.80 EGFR (0.90) ERBB2EGFR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed