SCHEMBL8214032

SCHEMBL8214032

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.45
PIK3CA P42336 3/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
PIK3CD O00329 2/20 0.40
NAMPT P43490 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL8215180 0.90 NAMPT (0.46) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8213062 0.88 PIK3CD (0.49) PIK3CAMTORPIK3CGL3MBTL1KDM4E
SCHEMBL8214019 0.88 ATM (0.45) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8212594 0.87 PIK3CA (0.49) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8214031 0.85 ALDH1A1 (0.46) PIK3CAMTORPIK3CGKDM4ECA12
SCHEMBL8215294 0.83 NAMPT (0.42) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL11925440 0.81 CA2 (0.42) PIK3CAMTORCA12CA1CA2
SCHEMBL8213054 0.81 PIK3CA (0.48) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8204518 0.81 PIK3CA (0.46) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8083924 0.81 PIK3CA (0.44) ATMPIK3CAMTORPIK3CGL3MBTL1

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