SCHEMBL8084600

SCHEMBL8084600

Nc1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=O)NC3(CO)CC3)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.45
PIK3CA P42336 10/20 0.45
MTOR P42345 8/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CB P42338 1/20 0.45
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ATR Q13535 1/20 0.31

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
SCHEMBL8092862 0.88 PIK3CD (0.40) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8098832 0.85 MAPT (0.37) PIK3CDPIK3CAMTORPIK3CGKDM4E
SCHEMBL8099039 0.85 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090278 0.84 PIK3CD (0.45) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8093027 0.84 NAMPT (0.35) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8091267 0.84 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090008 0.83 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8084799 0.83 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8082701 0.83 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8089128 0.83 PIK3CD (0.44) PIK3CDPIK3CAMTORPIK3CGPIK3CB

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