SCHEMBL8214019

SCHEMBL8214019

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3cc(F)cc(F)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 14/20 0.45
PIK3CA P42336 4/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 1/20 0.41
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
PIK3CD O00329 2/20 0.38

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
SCHEMBL8217617 0.90 PIK3CA (0.41) PIK3CAMTORPIK3CD
SCHEMBL8215180 0.89 NAMPT (0.46) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8205332 0.88 PIK3CD (0.48) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8214032 0.88 ATM (0.45) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8212594 0.87 PIK3CA (0.49) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8205334 0.85 PIK3CA (0.41) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8215294 0.85 NAMPT (0.42) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL8214596 0.83 PIK3CA (0.51) ATMPIK3CAMTORPIK3CGPOLB
SCHEMBL11925811 0.83 KIF11 (0.44) PIK3CAMTORPIK3CD
SCHEMBL11925440 0.83 CA2 (0.42) PIK3CAMTORPIK3CD

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