SCHEMBL8204518

SCHEMBL8204518

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(C(C)(C)[S+](C)[O-])n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.46
MTOR P42345 6/20 0.46
PIK3CG P48736 4/20 0.46
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 11/20 0.43
NAMPT P43490 1/20 0.40

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
SCHEMBL11925409 0.89 GHSR (0.45) PIK3CAMTORPIK3CGNAMPT
SCHEMBL11925701 0.89 PIK3CA (0.41) PIK3CAMTORPIK3CG
SCHEMBL8212643 0.87 ALDH1A1 (0.42) PIK3CAMTORPIK3CGPOLBATM
SCHEMBL8214265 0.85 KDR (0.42) PIK3CAMTORPIK3CGNAMPT
SCHEMBL8212594 0.84 PIK3CA (0.49) PIK3CAMTORPIK3CGPOLBHTT
SCHEMBL11926845 0.84 F7 (0.38) PIK3CAMTORPIK3CG
SCHEMBL8218369 0.83 PIK3CA (0.47) PIK3CAMTORPIK3CGPOLBHTT
SCHEMBL8204574 0.82 KIF11 (0.43) MTOR
SCHEMBL8214032 0.81 ATM (0.45) PIK3CAMTORPIK3CGPOLBHTT
SCHEMBL8215180 0.80 NAMPT (0.46) PIK3CAMTORPIK3CGPOLBHTT

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