SCHEMBL6237600

SCHEMBL6237600

CN(C)C(=O)OC[C@H]1CC[C@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)N1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.68
ERBB2 P04626 15/20 0.61
ERBB4 Q15303 1/20 0.56

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
SCHEMBL6240063 0.92 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6241475 0.91 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6237750 0.89 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL6234836 0.85 EGFR (0.84) EGFRERBB2
SCHEMBL6233249 0.85 EGFR (0.84) EGFRERBB2
SCHEMBL6236048 0.85 EGFR (0.84) EGFRERBB2
SCHEMBL6232629 0.85 EGFR (0.84) EGFRERBB2
SCHEMBL6232622 0.85 EGFR (0.84) EGFRERBB2
SCHEMBL6240585 0.83 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL6234078 0.82 EGFR (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO claimed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed