SCHEMBL14626679

SCHEMBL14626679

C=C[C@H](C)NCc1cc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)ccc1F

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.61
CHUK O15111 6/20 0.61
BTK Q06187 2/20 0.56
AURKA O14965 1/20 0.56
FLT3 P36888 1/20 0.56
CSNK1E P49674 1/20 0.56
CSF1R P07333 1/20 0.38

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
SCHEMBL552840 0.90 IKBKB (0.63) IKBKBCHUKBTKAURKAFLT3
SCHEMBL553119 0.89 IKBKB (0.64) IKBKBCHUKBTKAURKAFLT3
SCHEMBL551689 0.88 IKBKB (0.69) IKBKBCHUKBTKAURKAFLT3
SCHEMBL553486 0.87 IKBKB (0.68) IKBKBCHUKBTKAURKAFLT3
SCHEMBL553285 0.87 IKBKB (0.67) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL552994 0.86 IKBKB (0.60) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL553148 0.85 IKBKB (0.61) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552244 0.85 IKBKB (0.65) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552995 0.85 IKBKB (0.59) IKBKBCHUKBTKAURKAFLT3
Trifluoroacetic Acid SCHEMBL551886 0.84 IKBKB (0.65) 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