SCHEMBL3987328

SCHEMBL3987328

CC(C)COC(=O)N1CCC(c2n[nH]c3c(C(N)=O)cc(-c4cccc(F)c4)cc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.39
IKBKB O14920 4/20 0.38
CHUK O15111 3/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
JAK2 O60674 5/20 0.38
JAK1 P23458 4/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
BTK Q06187 2/20 0.36
HDAC2 Q92769 1/20 0.36
DYRK1A Q13627 1/20 0.36
AURKA O14965 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1E P49674 1/20 0.36
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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 0.91 IKBKB (0.46) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3994570 0.86 IKBKB (0.41) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3395346 0.86 JAK2 (0.45) MAP4K4JAK2GPR119
SCHEMBL3989210 0.85 IKBKB (0.39) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL4418522 0.85 TLR9 (0.40) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3994799 0.84 TLR9 (0.38) IKBKBCHUKTLR9TLR8TLR7
SCHEMBL3989890 0.82 TLR9 (0.39) IKBKBTLR9TLR8TLR7JAK2
SCHEMBL3392939 0.82 IKBKB (0.56) MAP4K4IKBKBCHUKCCNA2CDK2
SCHEMBL3391348 0.79 IKBKB (0.51) MAP4K4IKBKBCHUKCCNA2CDK2
SCHEMBL4664992 0.78 ALDH1A1 (0.41) TLR9TLR8TLR7JAK2JAK1

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