SCHEMBL6234547

SCHEMBL6234547

CN(C)C(=O)O[C@H]1CN[C@@H](C#Cc2cc3ncnc(Nc4ccc(Oc5ccccn5)c(Cl)c4)c3s2)C1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.76
ERBB2 P04626 20/20 0.76

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
SCHEMBL6234555 1.00 EGFR (0.76) EGFRERBB2
SCHEMBL6238714 1.00 EGFR (0.76) EGFRERBB2
SCHEMBL6236439 1.00 EGFR (0.76) EGFRERBB2
SCHEMBL6240782 1.00 EGFR (0.76) EGFRERBB2
SCHEMBL6233409 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL6236247 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL6239504 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL6233412 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL6238346 0.91 EGFR (0.78) EGFRERBB2
SCHEMBL6236305 0.90 EGFR (0.63) 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