SCHEMBL8206485

SCHEMBL8206485

COCCNC(=O)Nc1ccc(-c2nc(N)cc(CS(C)(=O)=O)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.52
PIK3CD O00329 6/20 0.52
MTOR P42345 4/20 0.51
ALDH1A1 P00352 4/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 2/20 0.43
BDKRB1 P46663 1/20 0.43
APAF1 O14727 1/20 0.41
THRB P10828 1/20 0.41
PABPC1 P11940 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
DUSP3 P51452 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL8211493 0.94 PIK3CA (0.50) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8218992 0.90 PIK3CA (0.43) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8215198 0.90 PIK3CA (0.52) PIK3CAPIK3CDMTORSMN1; SMN2NAMPT
SCHEMBL8217106 0.89 BDKRB1 (0.47) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8206121 0.89 PIK3CA (0.62) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8215121 0.89 PIK3CA (0.56) PIK3CAPIK3CDMTORMAPTMEN1
SCHEMBL8219107 0.87 PIK3CA (0.56) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8206488 0.86 PIK3CA (0.41) PIK3CAPIK3CDMTORALDH1A1POLB
SCHEMBL8214218 0.86 PIK3CA (0.66) PIK3CAPIK3CDMTORKDR
SCHEMBL8220891 0.86 PIK3CA (0.64) PIK3CAPIK3CDMTORPOLBKDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed