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Sugi Predict / Compounds / SCHEMBL6233960

SCHEMBL6233960

SCHEMBL6233960

CC(C)(C)[N+]1(C(=O)[O-])C[C@@H](NC(=O)C(F)(F)F)C[C@@H]1C#Cc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2s1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 0.63
▸ ERBB2 P04626 20/20 0.63
▸ ERBB4 Q15303 1/20 0.58

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
SCHEMBL6237451 0.91 EGFR (0.58) EGFRERBB2
SCHEMBL6234261 0.90 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL6234241 0.82 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6240668 0.81 EGFR (0.62) EGFRERBB2
SCHEMBL6236912 0.79 EGFR (0.87) EGFRERBB2
SCHEMBL6257679 0.79 EGFR (0.87) EGFRERBB2
SCHEMBL6255164 0.79 EGFR (0.87) EGFRERBB2
SCHEMBL6234423 0.79 EGFR (0.87) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6234254 0.79 EGFR (0.82) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6234257 0.79 EGFR (0.82) EGFRERBB2ERBB4

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