SCHEMBL7101484

SCHEMBL7101484

COc1cccc(OC)c1CS(=O)(=O)Nc1nccc(-c2ccc(C(N)=O)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 8/20 0.62
MAPK8 P45983 6/20 0.62
PIK3CG P48736 5/20 0.55
IKBKB O14920 4/20 0.48
GSK3B P49841 2/20 0.48
MAPK10 P53779 1/20 0.47
HDAC1 Q13547 1/20 0.43
CHUK O15111 2/20 0.42
MAP4K4 O95819 1/20 0.41
POLB P06746 1/20 0.41
FYN P06241 1/20 0.41
JAK2 O60674 1/20 0.41
INSR P06213 1/20 0.41
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL5089258 0.84 CAMKK2 (0.68) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL27576337 0.77 CAMKK2 (0.70) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL5092014 0.75 CAMKK2 (0.66) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL5100369 0.74 CAMKK2 (0.60) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL27576335 0.73 CAMKK2 (0.61) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL5089234 0.73 DYRK1A (0.64) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5092238 0.72 CAMKK2 (0.60) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL5089194 0.71 CLK4 (0.58) CAMKK2MAPK8PIK3CGGSK3BMAPK10
SCHEMBL5089145 0.71 CAMKK2 (0.55) CAMKK2MAPK8PIK3CGIKBKBGSK3B
SCHEMBL5092092 0.70 CLK4 (0.69) CAMKK2MAPK8PIK3CGIKBKBMAPK10

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
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed