SCHEMBL8090278

SCHEMBL8090278

CC(C)(CO)NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CC4)CC3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.45
PIK3CA P42336 9/20 0.45
MTOR P42345 3/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
POLB P06746 1/20 0.39
JAK2 O60674 1/20 0.34
ABL1 P00519 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KMT2A Q03164 3/20 0.33
RXFP1 Q9HBX9 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8095771 0.97 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8081910 0.97 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089962 0.96 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090187 0.89 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8096026 0.88 POLB (0.40) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090994 0.87 POLB (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090420 0.86 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8089738 0.86 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8096233 0.85 PIK3CD (0.40) PIK3CDPIK3CAPOLBMEN1ALDH1A1
SCHEMBL8093619 0.85 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2

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