SCHEMBL8214596

SCHEMBL8214596

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)c3cc(F)cc(F)c3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.51
MTOR P42345 4/20 0.51
ATM Q13315 11/20 0.46
KDR P35968 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CG P48736 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL8222644 0.93 PIK3CA (0.51) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8212562 0.89 PIK3CA (0.53) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8220891 0.87 PIK3CA (0.64) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8098329 0.85 PIK3CA (0.55) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8211441 0.84 PIK3CA (0.54) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8214019 0.83 ATM (0.45) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8211601 0.83 PIK3CA (0.48) PIK3CAMTORKDRPIK3CD
SCHEMBL11925970 0.82 PIK3CA (0.50) PIK3CAMTORATMKDRPIK3CD
SCHEMBL8214580 0.82 PIK3CA (0.57) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8204775 0.82 PIK3CA (0.49) PIK3CAMTORATMKDRPIK3CD

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