SCHEMBL6550184

SCHEMBL6550184

Cc1nc(NC(=O)NC[C@@H](C)O)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.58
PIK3CG P48736 16/20 0.58
PIK3CA P42336 11/20 0.58
PIK3CB P42338 10/20 0.58
PI4KB Q9UBF8 6/20 0.55
PIK3C3 Q8NEB9 4/20 0.55
PIK3C2A O00443 1/20 0.55
PIK3C2B O00750 1/20 0.55
PI4KA P42356 1/20 0.55
PRKDC P78527 1/20 0.55
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48

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
SCHEMBL6550310 1.00 PIK3CD (0.58) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48618 0.88 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48617 0.88 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48616 0.88 PIK3CG (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48896 0.88 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5785803 0.86 PIK3CG (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48625 0.86 PIK3CD (0.67) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48726 0.86 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL49493 0.86 PIK3CG (0.62) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL49041 0.85 PIK3CD (0.66) 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