SCHEMBL6235940

SCHEMBL6235940

O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc(CSc5ccccc5)c(Cl)c4)c3s2)C1)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.73
ERBB2 P04626 18/20 0.73

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
SCHEMBL6235945 1.00 EGFR (0.73) EGFRERBB2
SCHEMBL6235436 0.90 EGFR (0.88) EGFRERBB2
SCHEMBL6235446 0.90 EGFR (0.88) EGFRERBB2
SCHEMBL6232968 0.89 EGFR (0.72) EGFRERBB2
SCHEMBL6232966 0.89 EGFR (0.72) EGFRERBB2
SCHEMBL6239364 0.87 EGFR (0.73) EGFRERBB2
SCHEMBL6239358 0.87 EGFR (0.73) EGFRERBB2
Formic Acid SCHEMBL6238450 0.87 EGFR (0.69) EGFRERBB2
Formic Acid SCHEMBL6238445 0.87 EGFR (0.69) EGFRERBB2
SCHEMBL6236317 0.86 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