SCHEMBL8100294

SCHEMBL8100294

Nc1cc(C2(S(=O)(=O)CCCO)CCC2)nc(-c2ccc(NC(=S)NCC(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
ALDH1A1 P00352 1/20 0.32
HPGD P15428 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
SCHEMBL8097958 0.90 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093437 0.90 PIK3CA (0.48) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093656 0.87 PIK3CD (0.44) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8092752 0.87 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8099683 0.87 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090321 0.86 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8084482 0.85 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8091731 0.84 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090864 0.84 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090381 0.83 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