SCHEMBL6232718

SCHEMBL6232718

O=C(OC1CNC(C#Cc2cc3ncnc(Nc4ccc(S(=O)(=O)c5cccc(F)c5)c(F)c4)c3s2)C1)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.76
ERBB2 P04626 19/20 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
SCHEMBL6232712 1.00 EGFR (0.76) EGFRERBB2
SCHEMBL6238529 0.94 EGFR (0.76) EGFRERBB2
SCHEMBL6233055 0.94 EGFR (0.76) EGFRERBB2
SCHEMBL6233060 0.94 EGFR (0.76) EGFRERBB2
Trifluoroacetic Acid SCHEMBL6236834 0.91 EGFR (0.72) EGFRERBB2
SCHEMBL6234210 0.87 EGFR (0.74) EGFRERBB2
SCHEMBL6234204 0.87 EGFR (0.74) EGFRERBB2
SCHEMBL6238986 0.86 EGFR (1.00) EGFRERBB2
SCHEMBL6238449 0.86 EGFR (0.81) EGFRERBB2
SCHEMBL6238442 0.86 EGFR (0.81) 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