SCHEMBL6550348

SCHEMBL6550348

Cc1nc(NC(=O)NCCC#N)sc1-c1ccc(S(C)(=O)=O)c(-c2ncc[nH]2)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 19/20 0.50
PIK3CG P48736 18/20 0.50
PIK3CA P42336 14/20 0.50
PIK3CB P42338 12/20 0.50
PI4KB Q9UBF8 5/20 0.47
CLK2 P49760 2/20 0.47
CLK1 P49759 1/20 0.47
PIK3C3 Q8NEB9 2/20 0.40
PIK3C2A O00443 1/20 0.40
PIK3C2B O00750 1/20 0.40
PI4KA P42356 1/20 0.40
PRKDC P78527 1/20 0.40
DYRK3 O43781 1/20 0.37
MAP4K4 O95819 1/20 0.37
DYRK1A Q13627 1/20 0.37
MINK1 Q8N4C8 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL6549063 0.89 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL6549107 0.88 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL6550300 0.88 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL6550317 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL6550303 0.87 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5783825 0.84 PIK3CG (0.64) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Sulfuric Acid SCHEMBL17203055 0.83 PIK3CG (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Sulfuric Acid SCHEMBL17203140 0.83 PIK3CG (0.61) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48687 0.82 PIK3CD (0.71) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
Sulfuric Acid SCHEMBL17203104 0.82 PIK3CG (0.62) 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-1480962-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS Novartis AG (CH) 2004-12-01 EP disclosed
WO-2003072557-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2003-09-04 WO disclosed