SCHEMBL8212650

SCHEMBL8212650

CNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)c3ccccc3C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.42
MTOR P42345 8/20 0.42
PIK3CG P48736 4/20 0.42
PIK3CD O00329 6/20 0.42
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CDK1 P06493 3/20 0.38
CDK2 P24941 3/20 0.38
NAMPT P43490 1/20 0.38
PIP4K2A P48426 1/20 0.38
PIP4K2B P78356 1/20 0.38
SMG1 Q96Q15 1/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL8213767 0.89 GRM4 (0.43) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8212636 0.88 NAMPT (0.42) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8214615 0.87 KMT2A (0.49) PIK3CAMTORPIK3CGPIK3CDKMT2A
SCHEMBL8217167 0.83 PIK3CA (0.40) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8216392 0.83 KMT2A (0.46) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8212662 0.83 KMT2A (0.44) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8206506 0.82 POLB (0.45) PIK3CAMTORPIK3CGPIK3CDNAMPT
SCHEMBL8218182 0.81 PIK3CA (0.51) PIK3CAMTORPIK3CGPIK3CDCA12
SCHEMBL8212679 0.81 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CDPIP4K2A
SCHEMBL8217177 0.81 PIK3CA (0.39) PIK3CAMTORPIK3CGPIK3CDCDK1

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