SCHEMBL6256269

SCHEMBL6256269

O=C(O)N1C[C@H](O)C[C@@H]1C#Cc1cc2sccc2c(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.49
ERBB2 P04626 18/20 0.49
ERBB4 Q15303 1/20 0.44

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
SCHEMBL6645039 0.85 EGFR (0.49) EGFRERBB2
SCHEMBL6266068 0.84 EGFR (0.67) EGFRERBB2
SCHEMBL6254923 0.82 EGFR (0.53) EGFRERBB2ERBB4
SCHEMBL6234611 0.82 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6272898 0.81 EGFR (0.61) EGFRERBB2
SCHEMBL6268328 0.81 EGFR (0.50) EGFRERBB2
SCHEMBL6265062 0.80 EGFR (0.47) EGFRERBB2
SCHEMBL6258057 0.80 EGFR (0.51) EGFRERBB2
SCHEMBL6685298 0.80 EGFR (0.49) EGFRERBB2ERBB4
SCHEMBL6641709 0.79 EGFR (0.54) 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