SCHEMBL6235091

SCHEMBL6235091

O=C1CC[C@@H](C#Cc2cc3ncnc(Nc4ccc(OCc5cc(F)ccc5F)nc4)c3s2)N1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ERBB2 P04626 20/20 0.51
ERBB4 Q15303 1/20 0.46

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
SCHEMBL6235774 0.82 ERBB2 (0.65) EGFRERBB2ERBB4
SCHEMBL6235467 0.81 EGFR (0.51) EGFRERBB2ERBB4
SCHEMBL6260001 0.79 CSNK2A2 (0.34) EGFRERBB2
SCHEMBL6252734 0.77 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL6252737 0.77 EGFR (0.63) EGFRERBB2ERBB4
SCHEMBL6232635 0.77 EGFR (0.77) EGFRERBB2ERBB4
SCHEMBL6235683 0.77 EGFR (0.77) EGFRERBB2ERBB4
Hydrochloric Acid SCHEMBL6265812 0.76 EGFR (0.76) EGFRERBB2ERBB4
SCHEMBL6235493 0.74 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6234723 0.73 EGFR (0.62) 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 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