SCHEMBL8089094

SCHEMBL8089094

C[C@@H](CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CC4)CCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.43
PIK3CA P42336 7/20 0.43
MTOR P42345 4/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
EPHX2 P34913 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ROCK2 O75116 1/20 0.32

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
SCHEMBL8082578 1.00 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091937 0.89 CA12 (0.39) PIK3CDPIK3CAMTORCA12CA1
SCHEMBL8093447 0.87 MTOR (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097177 0.86 PIK3CD (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098658 0.86 MAPT (0.37) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8098657 0.86 MAPT (0.37) PIK3CDPIK3CACA12CA1CA2
SCHEMBL8090008 0.85 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8081910 0.85 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8092462 0.84 PIK3CA (0.38) PIK3CDPIK3CAMTORPIK3CGCA12
SCHEMBL8091845 0.84 PIK3CA (0.38) PIK3CDPIK3CAMTORPIK3CGCA12

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