SCHEMBL8096243

SCHEMBL8096243

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.46
PIK3CA P42336 5/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 2/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.38
JAK1 P23458 1/20 0.38
ATR Q13535 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL8092197 0.91 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090864 0.88 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096724 0.87 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8099345 0.86 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGCYP1A2
SCHEMBL8088889 0.86 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGCYP1A2
SCHEMBL8105037 0.86 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8101095 0.85 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093656 0.85 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084829 0.85 ATR (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084459 0.82 PIK3CD (0.50) 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