SCHEMBL8213896

SCHEMBL8213896

CCNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)C3CCCCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.53
PIK3CD O00329 8/20 0.53
MTOR P42345 11/20 0.46
PIK3CG P48736 1/20 0.46

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
SCHEMBL11925480 0.99 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8214040 0.88 PIK3CA (0.54) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8214756 0.87 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8218355 0.86 PIK3CA (0.38) PIK3CAPIK3CDMTOR
SCHEMBL8213961 0.86 CA12 (0.47)
SCHEMBL8212679 0.85 PIK3CA (0.47) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8214218 0.85 PIK3CA (0.66) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8214580 0.83 PIK3CA (0.57) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8213051 0.81 PIK3CA (0.53) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL8213164 0.81 PIK3CA (0.55) PIK3CAPIK3CDMTORPIK3CG

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