SCHEMBL17801050

SCHEMBL17801050

NC(=O)c1cccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCN5)n4)cc23)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.53
TTK P33981 2/20 0.48
MAPK8 P45983 2/20 0.48
MAP3K5 Q99683 2/20 0.48
PIM1 P11309 1/20 0.45
CPT1A P50416 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
PARP1 P09874 6/20 0.42
MAPK1 P28482 2/20 0.41
MAPKAPK3 Q16644 2/20 0.41
MAPK6 Q16659 2/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAPKAPK5 Q8IW41 1/20 0.41
CSNK1D P48730 1/20 0.41
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
PARP2 Q9UGN5 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
SCHEMBL17801053 0.88 MAP3K5 (0.55) MAPK8MAP3K5CSNK1DMAPK10MAPK14
SCHEMBL17801051 0.84 PARP1 (0.44) MAP2K4PIM1PARP1MAPK1MAPKAPK3
SCHEMBL17801086 0.83 PDPK1 (0.47) AAK1
SCHEMBL17801091 0.80 CPT1A (0.60) MAP2K4TTKMAPK8MAP3K5CPT1A
SCHEMBL8252333 0.80 CSNK1D (0.54) MAP2K4PIM1CSNK1DMAPK14
SCHEMBL17801016 0.79 CSNK1D (0.50) MAPK8AAK1CSNK1DMAPK10
SCHEMBL17801059 0.79 PARP1 (0.39) MAP2K4MAP3K5PIM1CPT1APARP1
SCHEMBL17801034 0.79 LRRK2 (0.43) CSNK1D
SCHEMBL17801054 0.77 CPT1A (0.55) MAP2K4TTKMAPK8MAP3K5CPT1A
SCHEMBL17801078 0.73 CSNK1D (0.49) MAP2K4TTKMAPK8MAP3K5MAPK1

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