SCHEMBL8097407

SCHEMBL8097407

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

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.44
PIK3CA P42336 10/20 0.44
ATR Q13535 2/20 0.37
MTOR P42345 4/20 0.36

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
SCHEMBL8089874 0.88 PIK3CD (0.45) PIK3CDPIK3CAATRMTOR
SCHEMBL8095579 0.87 PIK3CD (0.44) PIK3CDPIK3CAATRMTOR
SCHEMBL8091538 0.86 PIK3CD (0.43) PIK3CDPIK3CAATRMTOR
SCHEMBL8097227 0.86 PIK3CD (0.43) PIK3CDPIK3CAATR
SCHEMBL8097448 0.85 PIK3CA (0.43) PIK3CDPIK3CAATRMTOR
SCHEMBL8091068 0.85 PIK3CD (0.42) PIK3CDPIK3CAATRMTOR
SCHEMBL8099087 0.85 PIK3CD (0.44) PIK3CDPIK3CA
SCHEMBL8090187 0.85 PIK3CD (0.42) PIK3CDPIK3CAATRMTOR
SCHEMBL8091635 0.84 ATR (0.47) PIK3CDPIK3CAATRMTOR
SCHEMBL8099806 0.84 PIK3CD (0.41) PIK3CDPIK3CAATRMTOR

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