SCHEMBL8093573

SCHEMBL8093573

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccc(Cl)cc4)CCOCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.46
MTOR P42345 12/20 0.46
PIK3CG P48736 7/20 0.46
PIK3CD O00329 6/20 0.43
ATM Q13315 2/20 0.41

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
SCHEMBL8083924 0.95 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8083160 0.91 PIK3CD (0.43) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8083867 0.88 PIK3CA (0.52) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8090158 0.87 MTOR (0.46) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8096190 0.86 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8098775 0.85 CA1 (0.43) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3931995 0.85 PIK3CA (0.65) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8092289 0.83 CA1 (0.41) PIK3CAMTORPIK3CD
SCHEMBL8092236 0.83 PIK3CA (0.44) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8096186 0.82 MAPT (0.41) PIK3CAPIK3CDATM

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