SCHEMBL5804528

SCHEMBL5804528

CCC(NC(=O)Nc1nc(C)c(-c2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)s1)C(N)=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.68
PIK3CG P48736 15/20 0.68
PIK3CA P42336 13/20 0.68
PIK3CB P42338 11/20 0.68
PI4KB Q9UBF8 7/20 0.46
CLK1 P49759 1/20 0.46
CLK2 P49760 1/20 0.46
PIK3C2A O00443 3/20 0.40
PIK3C2B O00750 3/20 0.40
STK17A Q9UEE5 2/20 0.40
RPS6KA4 O75676 1/20 0.40
CYP3A4 P08684 1/20 0.40
DYRK3 O43781 1/20 0.39
MAP4K4 O95819 1/20 0.39
CDK9 P50750 1/20 0.39
MAP4K2 Q12851 1/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
PI4KA P42356 1/20 0.39
PRKDC P78527 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
SCHEMBL5134573 0.89 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783913 0.84 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783906 0.84 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1785140 0.84 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1789102 0.84 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1785137 0.84 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783570 0.82 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783567 0.82 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48634 0.81 PIK3CG (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1786468 0.81 PIK3CD (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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-1689391-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005021519-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2005-03-10 WO disclosed