SCHEMBL5016911

SCHEMBL5016911

CC[S+]([O-])N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccc(CN[S+]([O-])c5cccc6nonc56)c4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.46
CHUK O15111 6/20 0.46
BTK Q06187 2/20 0.44
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1E P49674 1/20 0.44
CSF1R P07333 1/20 0.39

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
SCHEMBL5023366 0.80 IKBKB (0.50) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14626810 0.79 IKBKB (0.49) IKBKBCHUKBTKAURKAFLT3
SCHEMBL553614 0.77 IKBKB (0.61) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14627025 0.77 IKBKB (0.53) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14019062 0.75 IKBKB (0.59) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14018309 0.75 IKBKB (0.68) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5526374 0.74 IKBKB (0.54) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14626680 0.73 IKBKB (0.54) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5015995 0.73 IKBKB (0.47) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5023382 0.73 IKBKB (0.56) IKBKBCHUKBTKAURKAFLT3

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
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP claimed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO claimed