SCHEMBL4418522

SCHEMBL4418522

CC(C)COC(=O)N1CCC(c2n[nH]c3c(C(N)=O)cc(-c4ccsc4)cc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.40
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
KDM5A P29375 1/20 0.40
RPS6KB1 P23443 2/20 0.36
PDPK1 O15530 1/20 0.36
IKBKB O14920 3/20 0.35
CHUK O15111 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
JAK2 O60674 5/20 0.35
JAK1 P23458 4/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
GPR119 Q8TDV5 4/20 0.33

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
SCHEMBL3989409 0.88 IKBKB (0.46) TLR9TLR8TLR7IKBKBCHUK
SCHEMBL3994799 0.86 TLR9 (0.38) TLR9TLR8TLR7IKBKBCHUK
SCHEMBL3989210 0.86 IKBKB (0.39) TLR9TLR8TLR7IKBKBCHUK
SCHEMBL3391862 0.86 GPR119 (0.47) KDM5AJAK2JAK1CNR1GPR119
SCHEMBL3987328 0.85 MAP4K4 (0.39) TLR9TLR8TLR7IKBKBCHUK
SCHEMBL5532791 0.85 IKBKB (0.52) IKBKBCHUK
SCHEMBL27698208 0.84 RPS6KB1 (0.40) KDM5ARPS6KB1PDPK1IKBKBCHUK
SCHEMBL3989890 0.83 TLR9 (0.39) TLR9TLR8TLR7IKBKBJAK2
SCHEMBL3392932 0.81 IKBKB (0.53) KDM5ARPS6KB1PDPK1IKBKBCHUK
SCHEMBL3994570 0.81 IKBKB (0.41) TLR9TLR8TLR7IKBKBCHUK

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