SCHEMBL8083874

SCHEMBL8083874

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CC4)CCOCC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.47
PIK3CA P42336 11/20 0.47
PIK3CD O00329 10/20 0.47
PIK3CG P48736 4/20 0.47
PIK3CB P42338 1/20 0.47
PIK3R1 P27986 1/20 0.39
SMG1 Q96Q15 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
SCHEMBL8092629 0.95 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8093447 0.93 MTOR (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8091084 0.90 PIK3CD (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8092188 0.90 PIK3CA (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8090759 0.90 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8092043 0.90 MTOR (0.49) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL8089003 0.88 PIK3CA (0.56) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8089909 0.87 MTOR (0.45) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8096190 0.86 PIK3CA (0.50) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8090907 0.85 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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