SCHEMBL6234322

SCHEMBL6234322

N[C@H]1C[C@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)N(C(=O)O)C1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 20/20 0.72
ERBB4 Q15303 1/20 0.65

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
SCHEMBL6234611 0.94 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6238145 0.93 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6238607 0.91 EGFR (0.73) EGFRERBB2
SCHEMBL6233743 0.90 EGFR (0.64) EGFRERBB2
SCHEMBL6234241 0.89 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6236189 0.88 EGFR (0.89) EGFRERBB2ERBB4
SCHEMBL6239703 0.88 EGFR (0.89) EGFRERBB2ERBB4
SCHEMBL6236209 0.88 EGFR (0.77) EGFRERBB2
SCHEMBL6238265 0.88 EGFR (0.77) EGFRERBB2
SCHEMBL6233254 0.84 EGFR (0.72) 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