SCHEMBL17801083

SCHEMBL17801083

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4[nH]nc(Br)c4c3)n[nH]2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.45
HTT P42858 1/20 0.44
TLR9 Q9NR96 6/20 0.42
TLR8 Q9NR97 6/20 0.42
TLR7 Q9NYK1 6/20 0.42
CHEK2 O96017 3/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
CNR1 P21554 1/20 0.41
PRMT5 O14744 1/20 0.41
PDE4B Q07343 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL2731625 0.96 HPGDS (0.46) HPGDSHTTTLR9TLR8TLR7
SCHEMBL2731621 0.96 HPGDS (0.46) HPGDSHTTTLR9TLR8TLR7
SCHEMBL17801068 0.95 HTT (0.47) HPGDSHTTTLR9TLR8TLR7
SCHEMBL17801067 0.82 TLR9 (0.46) TLR9TLR8TLR7
SCHEMBL15240650 0.82 HSD11B1 (0.47) TLR9TLR8TLR7
SCHEMBL2732920 0.81 HPGDS (0.42) HPGDSHTTCHEK2PIK3CDPIK3CA
SCHEMBL2732410 0.81 HPGDS (0.42) HPGDSHTTCHEK2PIK3CDPIK3CA
SCHEMBL15248275 0.81 HPGDS (0.44) HPGDSHTTTLR9TLR8TLR7
SCHEMBL17801036 0.81 USP30 (0.51) HPGDS
SCHEMBL17801043 0.80 GPR119 (0.48) HPGDSHTTTLR9TLR8TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed