SCHEMBL6234965

SCHEMBL6234965

O=C(OC1CNC(C#Cc2cc3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c3s2)C1)N1CCCC1

nearest known ligand 0.90

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.90
ERBB2 P04626 20/20 0.90

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
SCHEMBL6237794 1.00 EGFR (0.90) EGFRERBB2
SCHEMBL6236977 1.00 EGFR (0.90) EGFRERBB2
SCHEMBL6235986 1.00 EGFR (0.90) EGFRERBB2
SCHEMBL6234959 1.00 EGFR (0.90) EGFRERBB2
SCHEMBL6240968 0.99 EGFR (0.89) EGFRERBB2
SCHEMBL6240972 0.99 EGFR (0.89) EGFRERBB2
SCHEMBL6242885 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL6233499 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL6239664 0.94 EGFR (1.00) EGFRERBB2
SCHEMBL6235313 0.94 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