SCHEMBL3989409

SCHEMBL3989409

CC(C)COC(=O)N1CCC(c2n[nH]c3c(C(N)=O)cc(-c4ccccc4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.46
CHUK O15111 5/20 0.46
AURKA O14965 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1E P49674 1/20 0.43
BTK Q06187 1/20 0.43
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 1/20 0.39

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
SCHEMBL3987328 0.91 MAP4K4 (0.39) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3989210 0.91 IKBKB (0.39) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4418522 0.88 TLR9 (0.40) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3994799 0.88 TLR9 (0.38) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3994570 0.87 IKBKB (0.41) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3989890 0.86 TLR9 (0.39) IKBKBBTKTLR9TLR8TLR7
SCHEMBL3988315 0.85 TLR9 (0.40) TLR9TLR8TLR7JAK2JAK1
SCHEMBL3392944 0.85 HTT (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4664992 0.85 ALDH1A1 (0.41) TLR9TLR8TLR7JAK2JAK1
SCHEMBL3392901 0.84 IKBKB (0.49) IKBKBCHUKAURKAFLT3CSNK1E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758578-A4 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORP (US) 2009-05-27 EP disclosed
EP-1758578-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE Smithkline Beecham Corporation (US) 2007-03-07 EP disclosed
WO-2006002434-A2 NOVEL INDAZOLE CARBOXAMIDES AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-01-05 WO disclosed