SCHEMBL6827596

SCHEMBL6827596

Nc1cncc(C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.82
ERBB2 P04626 13/20 0.63

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
SCHEMBL6826956 0.90 EGFR (0.83) EGFRERBB2
SCHEMBL6826984 0.90 EGFR (1.00) EGFRERBB2
SCHEMBL6823747 0.89 EGFR (0.65) EGFRERBB2
SCHEMBL6829302 0.88 EGFR (0.84) EGFRERBB2
SCHEMBL6483980 0.86 EGFR (0.78) EGFRERBB2
SCHEMBL6483295 0.85 EGFR (0.80) EGFRERBB2
SCHEMBL6487865 0.84 EGFR (0.80) EGFRERBB2
SCHEMBL6829297 0.84 EGFR (0.74) EGFRERBB2
SCHEMBL6484708 0.84 EGFR (0.73) EGFRERBB2
SCHEMBL6827012 0.83 EGFR (0.64) 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 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