SCHEMBL8215294

SCHEMBL8215294

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)c3ccccc3C(F)(F)F)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
PIK3CA P42336 3/20 0.42
MTOR P42345 3/20 0.42
PIK3CG P48736 2/20 0.41
ATM Q13315 11/20 0.40
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
DDX3X O00571 1/20 0.37

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
SCHEMBL8219081 0.91 NAMPT (0.43) NAMPTPIK3CAMTORKMT2ADDX3X
SCHEMBL8215290 0.89 PIK3CD (0.46) NAMPTPIK3CAMTORPIK3CGKMT2A
SCHEMBL8219083 0.86 NAMPT (0.40) NAMPTPIK3CAMTORPIK3CGKMT2A
SCHEMBL11925970 0.85 PIK3CA (0.50) NAMPTPIK3CAMTORPIK3CGATM
SCHEMBL8214019 0.85 ATM (0.45) PIK3CAMTORPIK3CGATMPOLB
SCHEMBL8212594 0.84 PIK3CA (0.49) PIK3CAMTORPIK3CGATMPOLB
SCHEMBL11926888 0.84 KIF11 (0.43) NAMPT
SCHEMBL8215180 0.84 NAMPT (0.46) NAMPTPIK3CAMTORPIK3CGATM
SCHEMBL8214032 0.83 ATM (0.45) NAMPTPIK3CAMTORPIK3CGATM
SCHEMBL3607952 0.82 PIK3CA (0.65) PIK3CAMTORPIK3CG

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