SCHEMBL8217031

SCHEMBL8217031

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

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.44
MEN1 O00255 4/20 0.40
HPGD P15428 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
PIK3CD O00329 6/20 0.38
PIK3CA P42336 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MTOR P42345 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
SCHEMBL8206578 0.91 PIK3CD (0.46) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8204669 0.88 KMT2A (0.45) MEN1HPGDKMT2AALDH1A1MAPT
SCHEMBL8217184 0.88 KIF11 (0.42) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8213981 0.88 KIF11 (0.42) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8211522 0.85 KIF11 (0.44) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL11925811 0.85 KIF11 (0.44) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8214334 0.85 KIF11 (0.49) KIF11ALDH1A1PIK3CACA1CA2
SCHEMBL8213031 0.84 PIK3CD (0.40) KIF11MEN1HPGDKMT2AALDH1A1
SCHEMBL8213413 0.84 PIK3CA (0.45) ALDH1A1KDM4EPIK3CDPIK3CACA1
SCHEMBL8205327 0.83 PIK3CD (0.39) KIF11MEN1HPGDKMT2AALDH1A1

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 2 patents. 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
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed