SCHEMBL8206578

SCHEMBL8206578

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.46
PIK3CA P42336 7/20 0.46
KIF11 P52732 7/20 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
NPSR1 Q6W5P4 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 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
SCHEMBL8217031 0.91 KIF11 (0.44) PIK3CDPIK3CAKIF11MEN1HPGD
SCHEMBL8217184 0.88 KIF11 (0.42) PIK3CDPIK3CAKIF11MEN1HPGD
SCHEMBL8214220 0.88 PIK3CA (0.48) PIK3CDPIK3CAMEN1HPGDKMT2A
SCHEMBL8213981 0.88 KIF11 (0.42) PIK3CDPIK3CAKIF11MEN1HPGD
SCHEMBL8214217 0.87 CA12 (0.46) PIK3CDPIK3CAMEN1HPGDKMT2A
SCHEMBL8211522 0.85 KIF11 (0.44) PIK3CDPIK3CAKIF11MEN1HPGD
SCHEMBL8214526 0.85 PIK3CD (0.61) PIK3CDPIK3CA
SCHEMBL8213776 0.85 CA12 (0.48) PIK3CDPIK3CAMAPTNPSR1
SCHEMBL8097366 0.85 PIK3CD (0.47) PIK3CDPIK3CAMEN1HPGDKMT2A
SCHEMBL8216930 0.85 PIK3CD (0.50) PIK3CDPIK3CA

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