SCHEMBL8098837

SCHEMBL8098837

O=C(Nc1ccc(-c2nc(NCCO)cc(C3(S(=O)(=O)CCCO)CCOCC3)n2)cc1)NC1CCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.40
PIK3CD O00329 7/20 0.40
MTOR P42345 7/20 0.40
PIK3CG P48736 5/20 0.40
PIK3CB P42338 1/20 0.40
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
ATR Q13535 1/20 0.34
RAF1 P04049 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL3935969 0.82 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8100159 0.80 PIK3CA (0.36) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8098280 0.80 RAB9A (0.39) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8091359 0.79 KDR (0.39) PIK3CAPIK3CDMTORGAAEPHX2
SCHEMBL8106631 0.79 CYP1A2 (0.35) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8106629 0.79 PIK3CD (0.34) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3924035 0.79 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL3928658 0.79 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8091770 0.78 MTOR (0.37) PIK3CAPIK3CDMTORPIK3CGPIK3CB
SCHEMBL8090907 0.76 MTOR (0.46) PIK3CAPIK3CDMTORPIK3CGPIK3CB

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