SCHEMBL8081910

SCHEMBL8081910

CC(C)(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 11/20 0.43
PIK3CA P42336 8/20 0.43
MTOR P42345 3/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
POLB P06746 1/20 0.37
JAK2 O60674 1/20 0.33
KIF18A Q8NI77 2/20 0.33
ABL1 P00519 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8090278 0.97 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8095771 0.95 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089962 0.94 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089738 0.90 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8093619 0.89 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8090420 0.88 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8093447 0.87 MTOR (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090187 0.86 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8082658 0.86 PIK3CD (0.39) PIK3CDPIK3CAPOLBKIF18AMEN1
SCHEMBL8090008 0.85 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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