SCHEMBL5529912

SCHEMBL5529912

CC(C)COC(=O)N1CCC(NCCCS(=O)(=O)N2CCC(c3c[nH]c4c(C(N)=O)cc(-c5ccccc5)cc34)CC2)CC1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.76
CHUK O15111 6/20 0.64
BTK Q06187 2/20 0.64
AURKA O14965 1/20 0.64
FLT3 P36888 1/20 0.64
CSNK1E P49674 1/20 0.64
CSF1R P07333 1/20 0.45

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
SCHEMBL3798002 0.89 IKBKB (0.78) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3795647 0.88 IKBKB (0.91) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3795649 0.88 IKBKB (0.91) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3795814 0.87 IKBKB (1.00) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3797615 0.86 IKBKB (0.98) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5786506 0.86 IKBKB (0.66) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3800722 0.85 IKBKB (0.88) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3800652 0.83 IKBKB (0.71) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3798387 0.82 IKBKB (0.78) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3797614 0.82 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1793826-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-06-13 EP claimed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 WO claimed
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