SCHEMBL8099604

SCHEMBL8099604

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)CCCO)CC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.36
PIK3CA P42336 5/20 0.36
MTOR P42345 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
KDR P35968 3/20 0.34
PDGFRB P09619 2/20 0.34
KIF11 P52732 3/20 0.33
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
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32

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
SCHEMBL8093102 0.96 LIPG (0.35) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8096240 0.91 PIK3CD (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8096245 0.90 PIK3CA (0.40) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8104195 0.87 PIK3CD (0.37) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090381 0.86 PIK3CD (0.42) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091240 0.86 PIK3CA (0.39) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090321 0.85 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091352 0.85 PIK3CA (0.41) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097652 0.85 PIK3CD (0.38) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091731 0.84 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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