SCHEMBL8092498

SCHEMBL8092498

Nc1cc(C2(S(=O)(=O)c3ccccc3)CC2)nc(-c2ccc(NC(=S)NCCO)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.49
PIK3CA P42336 4/20 0.49
PIK3CB P42338 1/20 0.49
MTOR P42345 1/20 0.49
PIK3CG P48736 1/20 0.49
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
CA2 P00918 7/20 0.39
CA1 P00915 6/20 0.39
ALDH1A1 P00352 5/20 0.39
DUSP3 P51452 1/20 0.39
PTPN11 Q06124 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
LMNA P02545 3/20 0.37
CA9 Q16790 3/20 0.37
CA12 O43570 2/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8092502 0.95 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8092307 0.88 PIK3CA (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8099045 0.87 MAPT (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8100131 0.87 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8092406 0.87 PIK3CA (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084013 0.87 PIK3CA (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8105037 0.86 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084155 0.86 MAPT (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084171 0.85 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090321 0.85 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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