SCHEMBL8096724

SCHEMBL8096724

CS(=O)(=O)C1(c2cc(N)nc(-c3ccc(NC(=S)NCCCO)cc3)n2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3CA P42336 4/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
HPGD P15428 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL8092197 0.96 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8097958 0.91 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8083631 0.90 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8101095 0.89 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084459 0.88 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8083702 0.88 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093437 0.88 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096243 0.87 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093656 0.87 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091068 0.86 PIK3CD (0.42) 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