SCHEMBL8090907

SCHEMBL8090907

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCCO)CCOCC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.46
PIK3CA P42336 11/20 0.46
PIK3CG P48736 5/20 0.46
PIK3CD O00329 10/20 0.43
PIK3CB P42338 1/20 0.39

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
SCHEMBL8096245 0.94 PIK3CA (0.40) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8091240 0.92 PIK3CA (0.39) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8092043 0.88 MTOR (0.49) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8083874 0.85 MTOR (0.47) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8090381 0.84 PIK3CD (0.42) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8099604 0.84 PIK3CD (0.36) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8093280 0.83 PIK3CA (0.41) MTORPIK3CAPIK3CGPIK3CD
SCHEMBL8092752 0.83 PIK3CD (0.40) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8097652 0.83 PIK3CD (0.38) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL8091352 0.83 PIK3CA (0.41) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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