SCHEMBL6237140

SCHEMBL6237140

Clc1cc(Nc2ncnc3cc(C#CC4CCCN4)sc23)ccc1Sc1nccs1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.58
ERBB2 P04626 19/20 0.58
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
SCHEMBL6237137 1.00 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6239846 0.78 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6239854 0.78 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6235826 0.76 EGFR (0.50) EGFRERBB2ERBB4
SCHEMBL6235809 0.76 EGFR (0.50) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6232736 0.76 EGFR (0.73) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6232716 0.76 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6255782 0.75 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL6255777 0.75 EGFR (0.62) EGFRERBB2ERBB4
SCHEMBL6233371 0.74 EGFR (0.69) 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