SCHEMBL17801090

SCHEMBL17801090

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.53
TRPA1 O75762 2/20 0.47
SCN5A Q14524 1/20 0.47
SCN9A Q15858 1/20 0.47
LRRK2 Q5S007 11/20 0.46
ITK Q08881 1/20 0.43
AOC3 Q16853 1/20 0.41
MAP2K4 P45985 3/20 0.39
MAPK1 P28482 2/20 0.39
MAPKAPK3 Q16644 2/20 0.39
MAPK6 Q16659 2/20 0.39
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL5378093 0.86 CSNK1D (0.69) CSNK1DTRPA1ITKAOC3MAP2K4
SCHEMBL17801058 0.82 CSNK1D (0.76) CSNK1DLRRK2ITKMAPK1
SCHEMBL5377874 0.76 CSNK1D (0.67) CSNK1DITKMAP2K4MAPK1MAPKAPK3
SCHEMBL17801018 0.73 CSNK1D (0.50) CSNK1DTRPA1SCN5ASCN9ALRRK2
SCHEMBL1664137 0.73 LRRK2 (0.58) TRPA1SCN5ASCN9ALRRK2ITK
SCHEMBL2857828 0.73 LRRK2 (0.54) CSNK1DTRPA1SCN5ASCN9ALRRK2
SCHEMBL17801056 0.72 TLR9 (0.50) CSNK1DTRPA1SCN5ASCN9ALRRK2
SCHEMBL5373431 0.72 CSNK1D (0.68) CSNK1DITKMAP2K4MAPK1MAPKAPK3
SCHEMBL5372371 0.71 CSNK1D (0.64) CSNK1DLRRK2ITKMAP2K4MAPK1
SCHEMBL17801074 0.71 MAP3K5 (0.55) CSNK1DLRRK2

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