SCHEMBL5738201

SCHEMBL5738201

CCc1cnc(CCNC(=O)Nc2nc(C)c(-c3cc(C)nc(-c4ncc[nH]4)n3)s2)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 14/20 0.35
PIK3CA P42336 6/20 0.34
PIK3CD O00329 5/20 0.34
PIK3CB P42338 5/20 0.34
PI4KB Q9UBF8 3/20 0.34
CLK2 P49760 2/20 0.34
CLK1 P49759 1/20 0.34
DYRK3 O43781 1/20 0.33
MAP4K4 O95819 1/20 0.33
DYRK1A Q13627 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CCNB2 O95067 1/20 0.32
CCNE2 O96020 1/20 0.32
CDK1 P06493 1/20 0.32
CDK4 P11802 1/20 0.32
CCNB1 P14635 1/20 0.32
CCND1 P24385 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32

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
SCHEMBL1890711 0.85 PIK3CG (0.40) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1888493 0.82 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1880462 0.82 PIK3CG (0.38) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1889373 0.82 PIK3CG (0.39) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1883372 0.82 PIK3CG (0.40) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1893256 0.81 PIK3CG (0.36) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL5782116 0.81 PIK3CD (0.48) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1883366 0.81 PIK3CG (0.41) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1884087 0.81 PIK3CA (0.39) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1887834 0.80 PIK3CG (0.35) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB

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