SCHEMBL17801024

SCHEMBL17801024

N#Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCN(C(=O)O)CC5)n4)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.46
TLR9 Q9NR96 4/20 0.43
TLR8 Q9NR97 4/20 0.43
TLR7 Q9NYK1 4/20 0.43
USP30 Q70CQ3 3/20 0.42
P2RY12 Q9H244 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 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
SCHEMBL17801043 0.87 GPR119 (0.48) FASNTLR9TLR8TLR7
SCHEMBL17801056 0.84 TLR9 (0.50) TLR9TLR8TLR7USP30LRRK2
SCHEMBL17801049 0.84 CPT1A (0.52) CPT2CPT1A
SCHEMBL17801067 0.82 TLR9 (0.46) TLR9TLR8TLR7USP30CPT2
SCHEMBL17801034 0.77 LRRK2 (0.43) TLR9TLR8TLR7LRRK2
SCHEMBL17801041 0.76 CPT1A (0.48) USP30CPT2CPT1A
SCHEMBL12231361 0.74 USP30 (0.58) USP30P2RY12
SCHEMBL5379740 0.73 CSNK1D (0.57) TLR9TLR8TLR7
SCHEMBL12231269 0.73 KIT (0.52) USP30
SCHEMBL17801018 0.73 CSNK1D (0.50) LRRK2

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