SCHEMBL17801034

SCHEMBL17801034

N#Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCN5)n4)cc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.43
ITK Q08881 1/20 0.41
CSNK1D P48730 1/20 0.41
SLC6A4 P31645 1/20 0.39
TLR9 Q9NR96 2/20 0.39
TLR8 Q9NR97 2/20 0.39
TLR7 Q9NYK1 2/20 0.39
TRPA1 O75762 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL8252333 0.87 CSNK1D (0.54) CSNK1DTLR9TLR8TLR7
SCHEMBL17801056 0.83 TLR9 (0.50) LRRK2ITKCSNK1DTLR9TLR8
SCHEMBL17801050 0.79 MAP2K4 (0.53) CSNK1D
SCHEMBL17801040 0.78 TLR9 (0.51) LRRK2ITKSLC6A4TLR9TLR8
SCHEMBL17801049 0.77 CPT1A (0.52)
SCHEMBL17801024 0.77 FASN (0.46) LRRK2TLR9TLR8TLR7
SCHEMBL17801016 0.77 CSNK1D (0.50) LRRK2CSNK1DTLR9TLR8TLR7
SCHEMBL17801059 0.77 PARP1 (0.39) LRRK2CSNK1DTLR9TLR8TLR7
SCHEMBL17801053 0.76 MAP3K5 (0.55) LRRK2CSNK1D
SCHEMBL17801018 0.75 CSNK1D (0.50) LRRK2ITKCSNK1DTRPA1SCN5A

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