SCHEMBL6237750

SCHEMBL6237750

OC[C@H]1CC[C@H](C#Cc2cc3c(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncnc3s2)N1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 19/20 0.77
ERBB2 P04626 13/20 0.62
ERBB4 Q15303 1/20 0.62

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
SCHEMBL6234679 0.90 EGFR (0.76) EGFRERBB2ERBB4
SCHEMBL6237600 0.89 EGFR (0.68) EGFRERBB2ERBB4
SCHEMBL6240585 0.88 EGFR (0.70) EGFRERBB2ERBB4
SCHEMBL6241475 0.88 EGFR (0.67) EGFRERBB2ERBB4
SCHEMBL6233578 0.87 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6233585 0.87 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL6235005 0.85 EGFR (0.82) EGFRERBB2ERBB4
SCHEMBL6236322 0.83 EGFR (0.76) EGFRERBB2ERBB4
SCHEMBL6255000 0.82 EGFR (0.73) EGFRERBB2
SCHEMBL6256786 0.82 EGFR (0.73) 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-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed