SCHEMBL5737384

SCHEMBL5737384

CCCN(c1nc(C)cc(-c2sc(NC(=O)NCCc3ncc(CC)o3)nc2C)n1)n1ccnc1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.32
PIK3CA P42336 7/20 0.32
PIK3CD O00329 3/20 0.32
PIK3CB P42338 3/20 0.32
CLK2 P49760 2/20 0.32
PI4KB Q9UBF8 2/20 0.32
DYRK3 O43781 1/20 0.32
MAP4K4 O95819 1/20 0.32
DYRK1A Q13627 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
NOS2 P35228 1/20 0.31
LCK P06239 1/20 0.31
CLK1 P49759 1/20 0.31
CYP2C9 P11712 1/20 0.30
PRKDC P78527 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5737744 0.92 PIK3CA (0.37) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1886584 0.85 NOS2 (0.41) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1888493 0.84 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1882772 0.84 PIK3CG (0.34) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1884087 0.83 PIK3CA (0.39) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1888302 0.82 PIK3CA (0.35) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1887699 0.82 PIK3CG (0.34) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1883449 0.81 PIK3CG (0.34) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1890711 0.81 PIK3CG (0.40) PIK3CGPIK3CAPIK3CDPIK3CBCLK2
SCHEMBL1884661 0.80 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDDYRK1ACLK1

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-1622897-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE Novartis AG (CH) 2006-02-08 EP disclosed
WO-2004096797-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG (CH) 2004-11-11 WO disclosed