SCHEMBL6238824

SCHEMBL6238824

CN(C)C(=O)O[C@@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3s2)C1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.79
ERBB2 P04626 18/20 0.79

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
SCHEMBL6237359 1.00 EGFR (0.79) EGFRERBB2
SCHEMBL6239832 1.00 EGFR (0.79) EGFRERBB2
SCHEMBL6237352 1.00 EGFR (0.79) EGFRERBB2
SCHEMBL6237874 1.00 EGFR (0.79) EGFRERBB2
Formic Acid SCHEMBL6236237 0.98 EGFR (0.76) EGFRERBB2
Formic Acid SCHEMBL6236232 0.98 EGFR (0.76) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6235541 0.96 EGFR (0.74) EGFRERBB2
SCHEMBL6236236 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6241265 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6232803 0.94 EGFR (0.79) 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