SCHEMBL14626698

SCHEMBL14626698

Bc1ccc(S(=O)(=O)NCc2cccc(-c3cc(C(N)=O)c4[nH]cc(C5CCN(S(=O)(=O)CC)CC5)c4c3)c2)c(CC)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.63
CHUK O15111 6/20 0.63
BTK Q06187 2/20 0.58
AURKA O14965 1/20 0.58
FLT3 P36888 1/20 0.58
CSNK1E P49674 1/20 0.58
CSF1R P07333 1/20 0.41

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
SCHEMBL552353 0.92 IKBKB (0.63) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14626812 0.90 IKBKB (0.67) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552162 0.87 IKBKB (0.68) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552468 0.86 IKBKB (0.75) IKBKBCHUKBTKAURKAFLT3
SCHEMBL551530 0.86 IKBKB (0.74) IKBKBCHUKBTKAURKAFLT3
SCHEMBL551700 0.86 IKBKB (0.74) IKBKBCHUKBTKAURKAFLT3
SCHEMBL551570 0.85 IKBKB (0.64) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552407 0.85 IKBKB (0.64) IKBKBCHUKBTKAURKAFLT3
SCHEMBL27733933 0.85 IKBKB (0.61) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552553 0.85 IKBKB (0.63) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed