SCHEMBL8217050

SCHEMBL8217050

CC(C)(c1cc(N)nc(-c2ccc(NC(=O)NCCO)cc2)n1)S(=O)(=O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.42
PIK3CA P42336 6/20 0.42
MTOR P42345 1/20 0.42
PIK3CD O00329 6/20 0.41
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 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) NAMPTPIK3CAMTORPIK3CD
SCHEMBL11925440 0.90 CA2 (0.42) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8217617 0.88 PIK3CA (0.41) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8213413 0.88 PIK3CA (0.45) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8211522 0.85 KIF11 (0.44) PIK3CAMTORPIK3CD
SCHEMBL8219081 0.83 NAMPT (0.43) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8214174 0.82 PIK3CD (0.49) PIK3CAMTORPIK3CD
SCHEMBL8213854 0.82 PIK3CA (0.46) NAMPTPIK3CAMTORPIK3CD
SCHEMBL8217047 0.82 EPHX1 (0.46) NAMPT
SCHEMBL8091771 0.81 PIK3CD (0.51) 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