SCHEMBL8214218

SCHEMBL8214218

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

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.66
PIK3CD O00329 8/20 0.66
MTOR P42345 9/20 0.51
PIK3CG P48736 1/20 0.47
KDR P35968 2/20 0.43

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
SCHEMBL8215121 0.91 PIK3CA (0.56) PIK3CAPIK3CDMTORKDR
SCHEMBL8213164 0.89 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8206121 0.89 PIK3CA (0.62) PIK3CAPIK3CDMTORPIK3CGKDR
SCHEMBL8215045 0.88 PIK3CA (0.54) PIK3CAPIK3CDMTORKDR
SCHEMBL8213955 0.88 PIK3CA (0.53) PIK3CAPIK3CDMTORKDR
SCHEMBL8218937 0.88 PIK3CD (0.53) PIK3CAPIK3CDMTORPIK3CGKDR
SCHEMBL8099679 0.88 PIK3CD (0.52) PIK3CAPIK3CDMTOR
SCHEMBL8212604 0.87 PIK3CD (0.53) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8205071 0.87 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CGKDR
SCHEMBL8218782 0.87 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CGKDR

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