SCHEMBL8099455

SCHEMBL8099455

Nc1cc(C2(S(=O)(=O)C3CC3)CCC2)nc(-c2ccc(NC(=O)NCCCO)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.47
PIK3CA P42336 10/20 0.47
MTOR P42345 6/20 0.47
PIK3CB P42338 1/20 0.47
PIK3CG P48736 1/20 0.47
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
JAK1 P23458 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HPGD P15428 1/20 0.34
APEX1 P27695 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
SCHEMBL8099039 0.96 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098310 0.95 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090008 0.95 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8082039 0.94 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8084799 0.93 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097552 0.90 PIK3CA (0.44) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8097652 0.89 PIK3CD (0.38) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8083631 0.89 PIK3CD (0.41) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8099450 0.88 PIK3CA (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089003 0.88 PIK3CA (0.56) 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