SCHEMBL5803458

SCHEMBL5803458

CCn1nnc(CCNC(=O)Nc2nc(C)c(-c3ccc([S+](C)[O-])c(F)c3)s2)n1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.76
PIK3CG P48736 13/20 0.76
PIK3CA P42336 11/20 0.76
PIK3CB P42338 10/20 0.76
PI4KB Q9UBF8 5/20 0.76
CLK2 P49760 2/20 0.76
CLK1 P49759 1/20 0.76
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
DYRK1A Q13627 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
ADORA2A P29274 3/20 0.35
PIK3C3 Q8NEB9 2/20 0.34
ADORA1 P30542 2/20 0.33
MET P08581 1/20 0.33

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
SCHEMBL1783626 0.86 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1886594 0.81 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL6550749 0.80 PIK3CD (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1888590 0.79 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2256898 0.79 PIK3CD (0.85) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL30020291 0.79 PIK3CD (0.85) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1787414 0.78 PIK3CD (0.85) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1786035 0.78 PIK3CG (0.84) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL2360519 0.77 PIK3CD (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5786761 0.76 PIK3CD (0.64) 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