SCHEMBL8093032

SCHEMBL8093032

Nc1cc(C2(S(=O)(=O)CCCO)CC2)nc(-c2ccc(NC(=S)NC3CCC3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.42
PIK3CA P42336 3/20 0.42
PIK3CB P42338 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CG P48736 1/20 0.42
ALDH1A1 P00352 5/20 0.41
PTPN7 P35236 3/20 0.41
HPGD P15428 1/20 0.41
DUSP3 P51452 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 4/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RAB9A P51151 5/20 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
SCHEMBL8090381 0.87 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090321 0.86 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096240 0.85 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091359 0.85 KDR (0.39) PIK3CDPIK3CAMTORRAB9ANPC1
SCHEMBL8092752 0.85 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093437 0.84 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097958 0.84 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091731 0.84 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090864 0.83 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8099604 0.82 PIK3CD (0.36) PIK3CDPIK3CAPIK3CBMTORPIK3CG

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