SCHEMBL6235467

SCHEMBL6235467

O=C1CC[C@@H](C#Cc2cc3ncnc(Nc4ccc5c(ccn5Cc5cc(F)ccc5F)c4)c3s2)N1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.51
ERBB2 P04626 19/20 0.51
ERBB4 Q15303 1/20 0.42

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
SCHEMBL6235493 0.94 EGFR (0.54) EGFRERBB2ERBB4
SCHEMBL6235385 0.90 EGFR (0.43) EGFRERBB2ERBB4
SCHEMBL6235774 0.88 ERBB2 (0.65) EGFRERBB2ERBB4
Trifluoroacetic Acid SCHEMBL6237996 0.84 EGFR (0.52) EGFRERBB2ERBB4
SCHEMBL6236186 0.83 EGFR (0.58) EGFRERBB2
SCHEMBL6240376 0.83 EGFR (0.58) EGFRERBB2
SCHEMBL6493262 0.81 EGFR (0.45) EGFRERBB2ERBB4
SCHEMBL6493260 0.81 EGFR (0.45) EGFRERBB2ERBB4
SCHEMBL6235091 0.81 EGFR (0.51) EGFRERBB2ERBB4
SCHEMBL6238409 0.81 EGFR (0.65) 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