SCHEMBL17801043

SCHEMBL17801043

CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc4[nH]nc(-c5ccc(C#N)cc5)c4c3)n[nH]2)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.48
EGLN2 Q96KS0 1/20 0.44
FASN P49327 3/20 0.43
HTT P42858 1/20 0.43
JAK2 O60674 1/20 0.43
JAK3 P52333 1/20 0.43
PTK2 Q05397 1/20 0.43
CETP P11597 2/20 0.43
TLR8 Q9NR97 3/20 0.42
TLR7 Q9NYK1 3/20 0.42
TLR9 Q9NR96 2/20 0.42
HPGDS O60760 1/20 0.41
CNR1 P21554 1/20 0.41
IRAK4 Q9NWZ3 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
SCHEMBL17801024 0.87 FASN (0.46) FASNTLR8TLR7TLR9
SCHEMBL17801041 0.86 CPT1A (0.48) GPR119
SCHEMBL17801068 0.85 HTT (0.47) GPR119HTTTLR8TLR7TLR9
SCHEMBL17801083 0.80 HPGDS (0.45) HTTTLR8TLR7TLR9HPGDS
SCHEMBL17801036 0.77 USP30 (0.51) HPGDS
SCHEMBL17801049 0.77 CPT1A (0.52)
SCHEMBL1653375 0.77 CNR1 (0.53) HTTHPGDSCNR1
SCHEMBL10069708 0.77 HPGDS (0.52) HTTJAK2JAK3PTK2HPGDS
SCHEMBL1653217 0.76 HPGDS (0.64) GPR119HTTHPGDS
SCHEMBL2731621 0.76 HPGDS (0.46) HTTJAK2TLR8TLR7TLR9

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