SCHEMBL8096026

SCHEMBL8096026

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
PIK3CD O00329 11/20 0.40
PIK3CA P42336 8/20 0.40
JAK2 O60674 1/20 0.36
MTOR P42345 3/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RXFP1 Q9HBX9 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL8090187 0.92 PIK3CD (0.42) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8090994 0.89 POLB (0.39) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8090278 0.88 PIK3CD (0.45) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8090420 0.88 PIK3CD (0.41) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8089738 0.88 PIK3CD (0.41) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8096233 0.88 PIK3CD (0.40) POLBPIK3CDPIK3CAMEN1ALDH1A1
SCHEMBL8093619 0.87 PIK3CD (0.41) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8095771 0.87 PIK3CD (0.43) POLBPIK3CDPIK3CAJAK2MTOR
SCHEMBL8098248 0.87 PIK3CD (0.39) POLBPIK3CDPIK3CA
SCHEMBL8089962 0.86 PIK3CD (0.42) POLBPIK3CDPIK3CAJAK2MTOR

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