SCHEMBL8090187

SCHEMBL8090187

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

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
PIK3CA P42336 10/20 0.42
POLB P06746 1/20 0.41
ATR Q13535 2/20 0.39
JAK2 O60674 1/20 0.36
MTOR P42345 3/20 0.35
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
MAPK1 P28482 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
SCHEMBL8090420 0.96 PIK3CD (0.41) PIK3CDPIK3CAPOLBATRJAK2
SCHEMBL8089738 0.96 PIK3CD (0.41) PIK3CDPIK3CAPOLBATRJAK2
SCHEMBL8096026 0.92 POLB (0.40) PIK3CDPIK3CAPOLBJAK2MTOR
SCHEMBL8090994 0.90 POLB (0.39) PIK3CDPIK3CAPOLBATRJAK2
SCHEMBL8090278 0.89 PIK3CD (0.45) PIK3CDPIK3CAPOLBJAK2MTOR
SCHEMBL8096233 0.88 PIK3CD (0.40) PIK3CDPIK3CAPOLBATR
SCHEMBL8093619 0.88 PIK3CD (0.41) PIK3CDPIK3CAPOLBJAK2MTOR
SCHEMBL8095771 0.88 PIK3CD (0.43) PIK3CDPIK3CAPOLBJAK2MTOR
SCHEMBL8098248 0.88 PIK3CD (0.39) PIK3CDPIK3CAPOLB
SCHEMBL8089962 0.87 PIK3CD (0.42) PIK3CDPIK3CAPOLBJAK2MTOR

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