SCHEMBL8217072

SCHEMBL8217072

O=C(Nc1ccc(-c2nc(C(=O)N3CC(O)C3)cc(N3CCOCC3)n2)cc1)NC1CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.48
MTOR P42345 15/20 0.48
PIK3CG P48736 10/20 0.48
ATR Q13535 1/20 0.48
PIK3R1 P27986 1/20 0.48
GAA P10253 1/20 0.48
PIK3CD O00329 3/20 0.47
PIK3C2B O00750 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3C3 Q8NEB9 1/20 0.45
EPHX2 P34913 1/20 0.45

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
SCHEMBL3587015 0.87 PIK3CA (0.52) PIK3CAMTORPIK3CD
SCHEMBL3601127 0.81 PIK3CA (0.56) PIK3CAMTORPIK3CD
SCHEMBL3726547 0.81 NPSR1 (0.63) PIK3CAMTORPIK3CGGAAPIK3CD
SCHEMBL8218959 0.81 PIK3CA (0.59) PIK3CAMTORPIK3CGATRGAA
SCHEMBL3603774 0.80 PIK3CA (0.55) PIK3CAMTORPIK3CD
SCHEMBL3597747 0.80 PIK3CA (0.53) PIK3CAMTORPIK3CD
SCHEMBL2370172 0.78 PIK3CA (0.71) PIK3CAMTORPIK3CGATRGAA
SCHEMBL3594860 0.78 PIK3CA (0.55) PIK3CAMTORPIK3CD
SCHEMBL3935094 0.78 PIK3CA (0.49) PIK3CAMTORPIK3CGATRGAA
SCHEMBL4193910 0.78 GAA (0.48) PIK3CAMTORPIK3CGATRPIK3R1

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed