SCHEMBL8092307

SCHEMBL8092307

N=C(N)CNC(=S)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
ALDH1A1 P00352 4/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
DUSP3 P51452 1/20 0.34
PTPN11 Q06124 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MAPKAPK2 P49137 3/20 0.33
ABAT P80404 1/20 0.33
PKM P14618 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL8092498 0.88 PIK3CD (0.49) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8100085 0.87 NAMPT (0.38) PIK3CAPIK3CDCA1CA2KDM4E
SCHEMBL8084155 0.86 MAPT (0.39) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8092502 0.86 PIK3CD (0.45) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8099045 0.86 MAPT (0.39) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8100131 0.84 PIK3CD (0.42) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8091293 0.83 MAPT (0.42) PIK3CAMTORPIK3CGCA1CA2
SCHEMBL8084166 0.83 ALDH1A1 (0.45) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8099683 0.81 PIK3CD (0.39) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL8089052 0.80 CA2 (0.41) PIK3CAPIK3CDCA1CA2KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed