SCHEMBL8093220

SCHEMBL8093220

Nc1cc(C2(S(=O)(=O)C3CC3)CC2)nc(-c2ccc(NC(=S)NCCO)cc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.66
PIK3CA P42336 5/20 0.66
MTOR P42345 2/20 0.66
PIK3CB P42338 1/20 0.66
PIK3CG P48736 1/20 0.66
LMNA P02545 3/20 0.35
CDK1 P06493 1/20 0.35
NSD2 O96028 1/20 0.35
BLM P54132 1/20 0.35
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA12 O43570 2/20 0.33
HPGD P15428 2/20 0.33
CA9 Q16790 1/20 0.33
JAK1 P23458 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
SCHEMBL8105037 0.87 PIK3CD (0.53) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8100086 0.87 PIK3CD (0.53) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8084799 0.86 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090008 0.86 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090321 0.86 PIK3CA (0.51) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8089003 0.85 PIK3CA (0.56) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8092498 0.85 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8099039 0.85 PIK3CD (0.49) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8084459 0.84 PIK3CD (0.50) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8093437 0.83 PIK3CA (0.48) 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