SCHEMBL17801023

SCHEMBL17801023

N#Cc1ccc(-c2n[nH]c3ccc(-c4ncc[nH]4)cc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 15/20 0.52
TRPA1 O75762 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45
ITK Q08881 1/20 0.43
MAP3K8 P41279 1/20 0.43
CHEK1 O14757 1/20 0.43
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
SCHEMBL17801025 0.88 LRRK2 (0.50) LRRK2ITKMKNK1
SCHEMBL5377574 0.82 CSNK1D (0.46) TRPA1MAP3K8MKNK1
SCHEMBL378124 0.80 NISCH (0.58) CHEK1
SCHEMBL17801044 0.79 LRRK2 (0.52) LRRK2TRPA1SCN5ASCN9AITK
Hydrochloric Acid SCHEMBL29165675 0.78 NISCH (0.56) CHEK1
SCHEMBL17801060 0.78 PDPK1 (0.60) LRRK2ITKMAP3K8CHEK1
SCHEMBL17801064 0.76 DCLK1 (0.65) LRRK2TRPA1SCN5ASCN9AITK
SCHEMBL1664137 0.76 LRRK2 (0.58) LRRK2TRPA1SCN5ASCN9AITK
SCHEMBL17801014 0.76 NISCH (0.47) MAP3K8CHEK1MKNK1
SCHEMBL8253395 0.73 VCP (0.47) MKNK1

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