SCHEMBL8211441

SCHEMBL8211441

CC(C)S(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(=O)NCCN(C)C)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.54
MTOR P42345 3/20 0.54
ATM Q13315 11/20 0.43
PIK3CD O00329 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
PIK3CG P48736 1/20 0.42
KDR P35968 2/20 0.42

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
SCHEMBL8220891 0.90 PIK3CA (0.64) PIK3CAMTORATMPIK3CDPOLB
SCHEMBL11926139 0.89 PIK3CA (0.47) PIK3CAMTORPIK3CDKDR
SCHEMBL8098329 0.89 PIK3CA (0.55) PIK3CAMTORATMPIK3CDPOLB
SCHEMBL8213164 0.87 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8218992 0.87 PIK3CA (0.43) PIK3CAMTORATMPIK3CDPOLB
SCHEMBL8212562 0.85 PIK3CA (0.53) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8214580 0.85 PIK3CA (0.57) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8213870 0.85 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CG
SCHEMBL8213842 0.85 PIK3CA (0.57) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL11924820 0.84 CA12 (0.45) PIK3CAMTORPIK3CD

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed