SCHEMBL8217541

SCHEMBL8217541

Cc1cnc(CNC(=O)Nc2ccc(-c3nc(N)cc(CS(C)(=O)=O)n3)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.51
PIK3CD O00329 6/20 0.51
MTOR P42345 4/20 0.47
NAMPT P43490 5/20 0.39
MAPKAPK2 P49137 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL11926095 0.85 PIK3CD (0.53) PIK3CAPIK3CDMTORNAMPT
SCHEMBL8217546 0.84 L3MBTL1 (0.55) PIK3CAPIK3CDL3MBTL1GLATSHR
SCHEMBL8216397 0.83 PIK3CD (0.51) PIK3CAPIK3CDMTORNAMPTCYP2C9
SCHEMBL8214218 0.83 PIK3CA (0.66) PIK3CAPIK3CDMTOR
SCHEMBL11926829 0.82 PIK3CA (0.52) PIK3CAPIK3CDMTORNAMPTTSHR
SCHEMBL8218782 0.82 PIK3CA (0.54) PIK3CAPIK3CDMTORHPGD
SCHEMBL8217442 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORHPGDTSHR
SCHEMBL8206121 0.81 PIK3CA (0.62) PIK3CAPIK3CDMTORNAMPTL3MBTL1
SCHEMBL8215121 0.81 PIK3CA (0.56) PIK3CAPIK3CDMTORCYP1A2
SCHEMBL3588757 0.81 PIK3CA (0.78) PIK3CAPIK3CDMTORCYP3A4

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