SCHEMBL17801075

SCHEMBL17801075

CS(=O)(=O)c1cccc(-c2n[nH]c3ccc(-c4nc(C5CCCN5)n[nH]4)cc23)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.52
MAP3K5 Q99683 1/20 0.48
TTK P33981 8/20 0.45
PLK4 O00444 1/20 0.44
LRRK2 Q5S007 3/20 0.43
GRK6 P43250 1/20 0.40
MAPK8 P45983 1/20 0.39
ALOX5 P09917 1/20 0.39
MAP2K4 P45985 3/20 0.37
MAP2K7 O14733 1/20 0.37
JAK2 O60674 1/20 0.37

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
SCHEMBL17801072 0.87 CSNK1D (0.46) PDPK1MAP3K5TTKPLK4MAP2K4
SCHEMBL17801078 0.81 CSNK1D (0.49) MAP3K5TTKLRRK2MAPK8MAP2K4
SCHEMBL17801079 0.79 PDPK1 (0.49) PDPK1
SCHEMBL17801071 0.79 MAP3K5 (0.54) MAP3K5LRRK2MAPK8
SCHEMBL17801077 0.77 PARP1 (0.43) MAP3K5MAP2K4
SCHEMBL2568971 0.70 TTK (0.58) PDPK1MAP3K5TTKPLK4LRRK2
SCHEMBL12813359 0.69 PDPK1 (1.00) PDPK1MAP3K5TTKPLK4JAK2
SCHEMBL922900 0.67 JAK2 (0.70) PDPK1MAP3K5TTKPLK4LRRK2
SCHEMBL2570707 0.67 MAPK1 (0.57) PDPK1MAP3K5TTKLRRK2MAP2K4
SCHEMBL17801050 0.66 MAP2K4 (0.53) MAP3K5TTKMAPK8MAP2K4

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