SCHEMBL6231793

SCHEMBL6231793

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

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.73
ERBB2 P04626 18/20 0.73

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
SCHEMBL6235083 1.00 EGFR (0.73) EGFRERBB2
SCHEMBL6256786 0.94 EGFR (0.73) EGFRERBB2
SCHEMBL6254806 0.94 EGFR (0.73) EGFRERBB2
SCHEMBL6255000 0.94 EGFR (0.73) EGFRERBB2
SCHEMBL6243283 0.94 EGFR (0.73) EGFRERBB2
SCHEMBL6238410 0.93 EGFR (0.71) EGFRERBB2
SCHEMBL6233014 0.91 EGFR (0.87) EGFRERBB2
SCHEMBL6235005 0.88 EGFR (0.82) EGFRERBB2
SCHEMBL6235476 0.87 EGFR (0.84) EGFRERBB2
SCHEMBL6235759 0.87 EGFR (0.84) 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 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 claimed