SCHEMBL6239235

SCHEMBL6239235

CCNC(=O)O[C@H]1CN[C@@H](C#Cc2cc3c(Nc4ccc5c(cnn5Cc5ccccc5)c4)ncnc3s2)C1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.64
EGFR P00533 17/20 0.64
ERBB4 Q15303 2/20 0.48
JAK3 P52333 1/20 0.46

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
SCHEMBL6235361 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL6233850 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL6235364 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL6239671 1.00 ERBB2 (0.64) ERBB2EGFRERBB4JAK3
SCHEMBL6239728 0.94 EGFR (0.66) ERBB2EGFR
SCHEMBL6232994 0.94 EGFR (0.66) ERBB2EGFR
SCHEMBL6239821 0.94 EGFR (0.66) ERBB2EGFR
SCHEMBL6231711 0.94 EGFR (0.66) ERBB2EGFR
SCHEMBL6233951 0.94 EGFR (0.66) ERBB2EGFR
SCHEMBL6239366 0.91 ERBB2 (0.66) ERBB2EGFRERBB4JAK3

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