SCHEMBL6529436

SCHEMBL6529436

COc1ccc(S(=O)(=O)Nc2n[nH]c3c(F)c(Cl)c(-c4ccccc4)cc23)cc1.O=S(=O)(Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
STAT3 P40763 3/20 0.50
PIK3CG P48736 2/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
MAP2K4 P45985 1/20 0.44
USP2 O75604 2/20 0.43
USP8 P40818 2/20 0.43
CKS1B P61024 1/20 0.43
SKP2 Q13309 1/20 0.43

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
SCHEMBL1378226 0.97 GSK3B (0.55) GSK3BCDK1CDK2STAT3PRKAB2
SCHEMBL1379072 0.92 GSK3B (0.57) GSK3BCDK1CDK2PIK3CAMAP2K4
SCHEMBL1378100 0.88 GSK3B (0.53) GSK3BCDK1CDK2PRKAB2PRKAG1
SCHEMBL1377458 0.87 GSK3B (0.60) GSK3BCDK1CDK2PIK3CGPIK3CD
SCHEMBL1374941 0.87 GSK3B (0.57) GSK3BCDK1CDK2MAP2K4USP2
SCHEMBL1379009 0.84 GSK3B (0.55) GSK3BCDK1CDK2GAA
SCHEMBL6528658 0.83 GSK3B (0.54) GSK3BCDK1CDK2MAP2K4CKS1B
SCHEMBL2334200 0.83 GSK3B (0.53) GSK3BCDK1CDK2MAP2K4USP2
SCHEMBL6532777 0.82 GSK3B (0.52) GSK3BCDK1CDK2MAP2K4CKS1B
SCHEMBL1379098 0.82 GSK3B (0.59) GSK3BCDK1CDK2CKS1BSKP2

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-1572200-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-14 EP disclosed
WO-2004062662-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-07-29 WO disclosed