Sugi Predict

Sugi Predict / Compounds / SCHEMBL5529944

SCHEMBL5529944

SCHEMBL5529944

NC(=O)c1cc(-c2cccc(CO)c2)cc2c(C3CCN([S+]([O-])CCCN4CCCC4)CC3)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 20/20 0.59
▸ CHUK O15111 7/20 0.49
▸ BTK Q06187 2/20 0.47
▸ AURKA O14965 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ CSNK1E P49674 1/20 0.47
▸ CSF1R P07333 1/20 0.44

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
SCHEMBL3795266 0.84 IKBKB (0.83) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5526374 0.80 IKBKB (0.54) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5529915 0.79 IKBKB (0.51) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5527122 0.78 IKBKB (0.62) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3797161 0.78 IKBKB (0.83) IKBKBCHUKBTKAURKAFLT3
SCHEMBL552400 0.78 IKBKB (0.80) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3800775 0.78 IKBKB (0.83) IKBKBCHUKBTKAURKAFLT3
SCHEMBL13020813 0.78 IKBKB (0.81) IKBKBCHUKBTKAURKAFLT3
SCHEMBL621586 0.76 IKBKB (0.64) IKBKBCHUKBTKAURKAFLT3
SCHEMBL621585 0.76 IKBKB (0.76) 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-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 — — EP disclosed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 — — WO disclosed