SCHEMBL8091731

SCHEMBL8091731

NCCNC(=S)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCCO)CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 3/20 0.34
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 3/20 0.32
CA12 O43570 2/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL8090321 0.95 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090864 0.92 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097958 0.91 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093437 0.91 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8101095 0.89 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093656 0.89 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090381 0.88 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096240 0.87 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8105037 0.86 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8092197 0.85 PIK3CD (0.49) 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