SCHEMBL8089229

SCHEMBL8089229

C[C@H](CO)NC(=S)Nc1ccc(-c2nc(N)cc(C3(S(C)(=O)=O)CCC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.38
PIK3CA P42336 5/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
STAT3 P40763 1/20 0.34
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
ATR Q13535 2/20 0.33
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL8084383 1.00 PIK3CD (0.38) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097177 0.86 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096724 0.84 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097252 0.83 CA12 (0.43) PIK3CDPIK3CAMTORCA1CA2
SCHEMBL8091937 0.82 CA12 (0.39) PIK3CDPIK3CAMTORCA1CA2
SCHEMBL8091781 0.81 CA12 (0.43) PIK3CDPIK3CAMTORCA1CA2
SCHEMBL8103635 0.81 ATR (0.39) PIK3CDPIK3CAMTORATRMAPT
SCHEMBL3937118 0.80 PIK3CA (0.63) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL3928559 0.80 PIK3CA (0.63) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8098188 0.80 CA12 (0.44) PIK3CDPIK3CAMTORCA1CA2

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