SCHEMBL8206653

SCHEMBL8206653

CC(C)(C)S(=O)(=O)Cc1cc(N)nc(-c2ccc(NC(N)=O)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.42
PIK3CD O00329 6/20 0.40
PIK3CA P42336 5/20 0.40
MTOR P42345 3/20 0.40
MEN1 O00255 4/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL11925797 0.88 PIK3CA (0.49) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL8206190 0.86 PIK3CD (0.43) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL11925317 0.84 KIF11 (0.42) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL8214242 0.83 CYP3A4 (0.44) PIK3CDPIK3CAMTORALDH1A1CYP2C19
SCHEMBL8104043 0.80 PIK3CA (0.45) PIK3CDPIK3CAMTORMEN1ALDH1A1
SCHEMBL8213981 0.80 KIF11 (0.42) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL11926115 0.79 KIF11 (0.39) KIF11PIK3CDPIK3CAMTORKMT2A
SCHEMBL8218355 0.79 PIK3CA (0.38) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL8217031 0.79 KIF11 (0.44) KIF11PIK3CDPIK3CAMTORMEN1
SCHEMBL8099372 0.79 PIK3CA (0.48) PIK3CDPIK3CAMTORMEN1ALDH1A1

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