SCHEMBL8212679

SCHEMBL8212679

CNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)C3CC3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.47
MTOR P42345 10/20 0.47
PIK3CG P48736 2/20 0.47
PIK3CD O00329 6/20 0.46
PIP4K2A P48426 1/20 0.39
PIP4K2B P78356 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL8212701 0.86 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL11925480 0.86 PIK3CA (0.54) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8214580 0.86 PIK3CA (0.57) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8204658 0.86 PIK3CA (0.45) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8213896 0.85 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL11926865 0.84 PIK3CA (0.42) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8218355 0.84 PIK3CA (0.38) PIK3CAMTORPIK3CDKMT2A
SCHEMBL8213961 0.84 CA12 (0.47) KMT2A
SCHEMBL8213870 0.83 PIK3CA (0.43) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8214756 0.82 PIK3CA (0.55) PIK3CAMTORPIK3CGPIK3CD

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