SCHEMBL11925317

SCHEMBL11925317

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
PIK3CA P42336 6/20 0.40
PIK3CD O00329 6/20 0.40
MTOR P42345 4/20 0.40
GLA P06280 1/20 0.39
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
CIT O14578 1/20 0.35

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
SCHEMBL8213870 0.89 PIK3CA (0.43) PIK3CAPIK3CDMTORMEN1ALDH1A1
SCHEMBL11925797 0.88 PIK3CA (0.49) KIF11PIK3CAPIK3CDMTORMEN1
SCHEMBL11924820 0.88 CA12 (0.45) PIK3CAPIK3CDMTORMEN1ALDH1A1
SCHEMBL8213164 0.87 PIK3CA (0.55) PIK3CAPIK3CDMTOR
SCHEMBL8206190 0.86 PIK3CD (0.43) KIF11PIK3CAPIK3CDMTORMEN1
SCHEMBL11926139 0.85 PIK3CA (0.47) PIK3CAPIK3CDMTORMEN1MAPT
SCHEMBL8205208 0.84 PIK3CA (0.42) PIK3CAPIK3CDMTOR
SCHEMBL8206653 0.84 KIF11 (0.42) KIF11PIK3CAPIK3CDMTORMEN1
SCHEMBL11926872 0.84 POLB (0.42) PIK3CAPIK3CDMTORMEN1ALDH1A1
SCHEMBL8215177 0.83 MTOR (0.37) PIK3CAMTORGLAMEN1ALDH1A1

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
EP-2057140-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed