SCHEMBL8092862

SCHEMBL8092862

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=O)NC4(CO)CC4)cc3)n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 15/20 0.40
PIK3CA P42336 11/20 0.37
ATR Q13535 2/20 0.37
MTOR P42345 3/20 0.36
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL8084600 0.88 PIK3CD (0.45) PIK3CDPIK3CAATRMTORPIK3CB
SCHEMBL8098832 0.87 MAPT (0.37) PIK3CDPIK3CAATRMTORPIK3CG
SCHEMBL8093027 0.86 NAMPT (0.35) PIK3CDPIK3CAMTORPIK3CG
SCHEMBL8097448 0.86 PIK3CA (0.43) PIK3CDPIK3CAATRMTORPIK3CG
SCHEMBL8089874 0.85 PIK3CD (0.45) PIK3CDPIK3CAATRMTORPIK3CB
SCHEMBL8091635 0.85 ATR (0.47) PIK3CDPIK3CAATRMTORPIK3CG
SCHEMBL8090187 0.84 PIK3CD (0.42) PIK3CDPIK3CAATRMTORPIK3CB
SCHEMBL8091068 0.84 PIK3CD (0.42) PIK3CDPIK3CAATRMTORPIK3CB
SCHEMBL8097177 0.84 PIK3CD (0.39) PIK3CDPIK3CAATRMTORPIK3CB
SCHEMBL8083616 0.84 ATR (0.42) PIK3CDPIK3CAATRMTORKDM4E

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