SCHEMBL1376129

SCHEMBL1376129

CC(C)S(=O)(=O)Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12.O=S(=O)(CC(F)(F)F)Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
CDK1 P06493 2/20 0.55
CDK2 P24941 2/20 0.55
AAK1 Q2M2I8 3/20 0.36
GAK O14976 1/20 0.34
STK16 O75716 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
GSK3A P49840 1/20 0.33
BRD4 O60885 1/20 0.33
MLKL Q8NB16 1/20 0.33
CDC7 O00311 1/20 0.32
MAPK1 P28482 5/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL2337910 0.93 GSK3B (0.58) GSK3BCDK1CDK2AAK1GAK
SCHEMBL2334591 0.92 GSK3B (0.60) GSK3BCDK1CDK2AAK1GSK3A
SCHEMBL2333809 0.81 GSK3B (0.59) GSK3BCDK1CDK2AAK1GAK
SCHEMBL1378973 0.80 GSK3B (0.64) GSK3BCDK1CDK2GSK3AMAPK1
SCHEMBL1376133 0.80 GSK3B (0.49) GSK3BCDK1CDK2AAK1GSK3A
SCHEMBL1377236 0.79 GSK3B (0.57) GSK3BCDK1CDK2AAK1GAK
SCHEMBL1377458 0.77 GSK3B (0.60) GSK3BCDK1CDK2GSK3ACDC7
SCHEMBL4483090 0.76 GSK3B (0.55) GSK3BCDK1CDK2AAK1GAK
SCHEMBL2334200 0.76 GSK3B (0.53) GSK3BCDK1CDK2ACLY
SCHEMBL1374941 0.75 GSK3B (0.57) GSK3BCDK1CDK2ACLY

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4764168-B2 2011-08-31 JP claimed
EP-1572200-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-14 EP claimed
WO-2004062662-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-07-29 WO claimed