SCHEMBL6234725

SCHEMBL6234725

O=C1CC[C@@H](C#Cc2cc3ncnc(Nc4ccc(Oc5ccccn5)c(Cl)c4)c3s2)N1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.61
ERBB2 P04626 20/20 0.61
ERBB4 Q15303 1/20 0.52

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
SCHEMBL6234723 0.90 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL6240817 0.90 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL6239854 0.86 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6239846 0.86 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6235683 0.82 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL6232635 0.82 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL6234878 0.82 EGFR (0.62) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6265812 0.82 EGFR (0.76) EGFRERBB2ERBB4
SCHEMBL6239860 0.80 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6236439 0.79 EGFR (0.76) 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 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