SCHEMBL8204775

SCHEMBL8204775

Cc1csc(S(=O)(=O)Cc2cc(N)nc(-c3ccc(NC(=O)NCCN(C)C)cc3)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.49
MTOR P42345 3/20 0.49
ATM Q13315 11/20 0.42
PIK3CD O00329 1/20 0.39
PIK3CG P48736 1/20 0.38
KDR P35968 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL8217177 0.87 PIK3CA (0.39) PIK3CAMTORPIK3CDPIK3CGPOLB
SCHEMBL11925452 0.85 PIK3CD (0.36) PIK3CAMTORPIK3CDPOLB
SCHEMBL8220891 0.85 PIK3CA (0.64) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8212562 0.84 PIK3CA (0.53) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8098329 0.83 PIK3CA (0.55) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8214371 0.83 KLKB1 (0.40) PIK3CAMTORPIK3CDKDRHTT
SCHEMBL8222644 0.82 PIK3CA (0.51) PIK3CAMTORATMPIK3CDKDR
SCHEMBL8214596 0.82 PIK3CA (0.51) PIK3CAMTORATMPIK3CDPIK3CG
SCHEMBL8217242 0.82 KDR (0.40) PIK3CAMTORPIK3CDKDR
SCHEMBL8211441 0.82 PIK3CA (0.54) PIK3CAMTORATMPIK3CDPIK3CG

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