SCHEMBL17801016

SCHEMBL17801016

c1cc(CN2CCCC2)cc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCN5)n4)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.50
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
TLR9 Q9NR96 2/20 0.43
TLR8 Q9NR97 2/20 0.43
TLR7 Q9NYK1 2/20 0.43
DYRK1A Q13627 7/20 0.42
CLK2 P49760 6/20 0.42
CLK3 P49761 5/20 0.42
CHEK1 O14757 2/20 0.42
CDK7 P50613 2/20 0.42
LRRK2 Q5S007 1/20 0.41
USP30 Q70CQ3 1/20 0.40
AURKB Q96GD4 1/20 0.39
GAK O14976 1/20 0.39
DYRK3 O43781 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
NQO2 P16083 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
SCHEMBL17801059 0.84 PARP1 (0.39) CSNK1DTLR9TLR8TLR7CHEK1
SCHEMBL17801050 0.79 MAP2K4 (0.53) CSNK1DMAPK8MAPK10AAK1
SCHEMBL8252333 0.78 CSNK1D (0.54) CSNK1DTLR9TLR8TLR7
SCHEMBL17801053 0.77 MAP3K5 (0.55) CSNK1DDYRK1ACHEK1LRRK2MAPK8
SCHEMBL17801034 0.77 LRRK2 (0.43) CSNK1DTLR9TLR8TLR7LRRK2
SCHEMBL17801086 0.76 PDPK1 (0.47) DYRK1ACLK2CLK3GAKAAK1
SCHEMBL5378161 0.76 DYRK1A (0.50) CSNK1DADORA2AADORA1DYRK1ACLK2
SCHEMBL5387406 0.72 CSNK1D (0.82) CSNK1DADORA2AADORA1DYRK1ACLK2
SCHEMBL4079762 0.71 CSNK1D (0.74) CSNK1DADORA2AADORA1DYRK1ACLK2
SCHEMBL17801051 0.71 PARP1 (0.44) DYRK1ACLK2AURKBMAP4K4

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