SCHEMBL6272898

SCHEMBL6272898

COCCOC(=O)N1CCC[C@@H]1C#Cc1cc2sccc2c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.61
ERBB2 P04626 16/20 0.61

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
SCHEMBL6254923 0.84 EGFR (0.53) EGFRERBB2
SCHEMBL6268328 0.82 EGFR (0.50) EGFRERBB2
SCHEMBL6256269 0.81 EGFR (0.49) EGFRERBB2
SCHEMBL6645039 0.80 EGFR (0.49) EGFRERBB2
SCHEMBL6265062 0.80 EGFR (0.47) EGFRERBB2
SCHEMBL6258057 0.79 EGFR (0.51) EGFRERBB2
SCHEMBL6685298 0.77 EGFR (0.49) EGFRERBB2
SCHEMBL6266068 0.76 EGFR (0.67) EGFRERBB2
SCHEMBL6234658 0.75 EGFR (0.72) EGFRERBB2
SCHEMBL6644237 0.74 EGFR (0.49) 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 disclosed