SCHEMBL6827014

SCHEMBL6827014

COc1nc(C#Cc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3s2)cnc1N

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.62
ERBB2 P04626 17/20 0.62
ERBB4 Q15303 1/20 0.62
GAK O14976 1/20 0.56

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
SCHEMBL6826922 0.92 EGFR (0.66) EGFRERBB2ERBB4
SCHEMBL6823747 0.87 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL6826817 0.85 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6823810 0.85 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL6827054 0.85 EGFR (0.65) EGFRERBB2ERBB4
SCHEMBL6829305 0.85 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL6486987 0.83 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL6487810 0.83 EGFR (0.69) EGFRERBB2ERBB4
SCHEMBL6481918 0.83 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL6488925 0.83 EGFR (0.79) EGFRERBB2ERBB4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004112714-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-29 WO disclosed