SCHEMBL6237764

SCHEMBL6237764

Cc1cccc(COc2ccc(Nc3ncnc4cc(C#CN5CCCC5)sc34)cc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.52
ERBB2 P04626 20/20 0.52
ERBB4 Q15303 1/20 0.51

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
SCHEMBL6238635 0.84 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL6237756 0.84 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6237758 0.84 EGFR (0.73) EGFRERBB2ERBB4
SCHEMBL6236692 0.82 EGFR (0.71) EGFRERBB2ERBB4
SCHEMBL6239860 0.80 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6240056 0.79 EGFR (0.54) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6234145 0.78 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6241579 0.75 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6239430 0.74 EGFR (0.55) EGFRERBB2ERBB4
SCHEMBL6236521 0.74 EGFR (0.67) 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