SCHEMBL8083867

SCHEMBL8083867

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

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.52
MTOR P42345 12/20 0.52
PIK3CG P48736 6/20 0.48
PIK3CD O00329 5/20 0.46
ATM Q13315 3/20 0.43

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
SCHEMBL8089929 0.92 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8097397 0.92 PIK3CA (0.48) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8096190 0.91 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8083872 0.91 PIK3CA (0.50) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8093573 0.88 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8092043 0.86 MTOR (0.49) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3926689 0.84 ATR (0.61) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8099450 0.84 PIK3CA (0.46) PIK3CAMTORPIK3CGPIK3CDATM
SCHEMBL8095579 0.84 PIK3CD (0.44) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL3936096 0.83 PIK3CA (0.73) PIK3CAMTORPIK3CGPIK3CDATM

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