SCHEMBL8093447

SCHEMBL8093447

CNC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CC4)CCC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 10/20 0.43
PIK3CA P42336 10/20 0.43
PIK3CD O00329 8/20 0.43
PIK3CG P48736 3/20 0.43
PIK3CB P42338 1/20 0.43
PIP4K2A P48426 1/20 0.37
PIP4K2B P78356 1/20 0.37
PIK3R1 P27986 1/20 0.36
SMG1 Q96Q15 1/20 0.36
KMT2A Q03164 2/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL8083874 0.93 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8092629 0.92 MTOR (0.48) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8090759 0.92 MTOR (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8081909 0.90 CA12 (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8097556 0.88 PIK3CA (0.42) MTORPIK3CAPIK3CDPIK3CGPIP4K2A
SCHEMBL8091695 0.88 CA12 (0.41) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8090008 0.87 PIK3CA (0.51) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8081910 0.87 PIK3CD (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8089094 0.87 PIK3CD (0.43) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL8082578 0.87 PIK3CD (0.43) 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