SCHEMBL17801018

SCHEMBL17801018

N#Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(N5CCCC5)n4)cc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.50
LRRK2 Q5S007 16/20 0.48
ITK Q08881 1/20 0.43
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
TRPA1 O75762 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN9A Q15858 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
SCHEMBL17801058 0.82 CSNK1D (0.76) CSNK1DLRRK2ITK
SCHEMBL17801034 0.75 LRRK2 (0.43) CSNK1DLRRK2ITKTRPA1SCN5A
SCHEMBL17801056 0.75 TLR9 (0.50) CSNK1DLRRK2ITKTRPA1SCN5A
SCHEMBL17801049 0.74 CPT1A (0.52)
SCHEMBL17801090 0.73 CSNK1D (0.53) CSNK1DLRRK2ITKTRPA1SCN5A
SCHEMBL17801024 0.73 FASN (0.46) LRRK2
SCHEMBL2857828 0.70 LRRK2 (0.54) CSNK1DLRRK2ITKTRPA1SCN5A
SCHEMBL1664137 0.70 LRRK2 (0.58) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL17801064 0.70 DCLK1 (0.65) CSNK1DLRRK2ITKTRPA1SCN5A
SCHEMBL5379650 0.70 MAPK1 (0.61) LRRK2ITKTRPA1SCN5ASCN9A

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