SCHEMBL17801044

SCHEMBL17801044

N#Cc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(=O)[nH]4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.52
ITK Q08881 1/20 0.46
TRPA1 O75762 2/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
MKNK1 Q9BUB5 1/20 0.42

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
SCHEMBL5389028 0.82 CSNK1D (0.46) ITKMKNK1
SCHEMBL17801023 0.79 LRRK2 (0.52) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL17801060 0.78 PDPK1 (0.60) LRRK2ITK
SCHEMBL1664137 0.76 LRRK2 (0.58) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL17801064 0.76 DCLK1 (0.65) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL17801062 0.75 BTK (0.50) MKNK1
SCHEMBL2857828 0.73 LRRK2 (0.54) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL5379650 0.73 MAPK1 (0.61) LRRK2ITKTRPA1SCN5ASCN9A
SCHEMBL2859279 0.73 ITK (0.64) LRRK2ITKMKNK1
SCHEMBL12317928 0.72 IDO1 (0.65) 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 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