SCHEMBL6233178

SCHEMBL6233178

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.77
ERBB2 P04626 19/20 0.77

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
SCHEMBL6237814 1.00 EGFR (0.77) EGFRERBB2
SCHEMBL6232833 1.00 EGFR (0.77) EGFRERBB2
SCHEMBL6240204 1.00 EGFR (0.77) EGFRERBB2
SCHEMBL6232837 1.00 EGFR (0.77) EGFRERBB2
SCHEMBL6233562 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6235071 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6235375 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6240785 0.94 EGFR (0.79) EGFRERBB2
SCHEMBL6233566 0.94 EGFR (0.79) EGFRERBB2
Hydrochloric Acid SCHEMBL6269835 0.93 EGFR (0.78) 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