SCHEMBL5524853

SCHEMBL5524853

CC(C)COC(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cccs4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 20/20 0.51
CHUK O15111 6/20 0.51
BTK Q06187 2/20 0.48
AURKA O14965 1/20 0.48
FLT3 P36888 1/20 0.48
CSNK1E P49674 1/20 0.48
CSF1R P07333 1/20 0.42

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
SCHEMBL5786506 0.87 IKBKB (0.66) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5532791 0.86 IKBKB (0.52) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3792007 0.86 IKBKB (0.51) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5785013 0.85 IKBKB (0.56) IKBKBCHUKBTKAURKAFLT3
SCHEMBL3994799 0.85 TLR9 (0.38) IKBKBCHUK
SCHEMBL5527173 0.84 IKBKB (0.61) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5783648 0.84 IKBKB (0.55) IKBKBCHUKBTKAURKAFLT3
SCHEMBL14019045 0.84 IKBKB (0.57) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5786631 0.83 IKBKB (0.54) IKBKBCHUKBTKAURKAFLT3
SCHEMBL5024842 0.82 IKBKB (0.47) 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 disclosed
EP-1703905-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-09-27 EP disclosed
WO-2006034317-A2 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-30 WO disclosed
WO-2005067923-A1 INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-28 WO disclosed