SCHEMBL8218355

SCHEMBL8218355

NC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)C3CCCC3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.38
PIK3CD O00329 6/20 0.38
MTOR P42345 6/20 0.38
KIF11 P52732 2/20 0.34
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PTPN1 P18031 1/20 0.33
CTPS1 P17812 1/20 0.32

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
SCHEMBL11925480 0.87 PIK3CA (0.54) PIK3CAPIK3CDMTOR
SCHEMBL8213961 0.87 CA12 (0.47) MEN1ALDH1A1KMT2A
SCHEMBL8213896 0.86 PIK3CA (0.53) PIK3CAPIK3CDMTOR
SCHEMBL8212679 0.84 PIK3CA (0.47) PIK3CAPIK3CDMTORKMT2A
SCHEMBL11925801 0.84 CA12 (0.34) PIK3CAPIK3CDMTORMEN1ALDH1A1
SCHEMBL8214756 0.83 PIK3CA (0.55) PIK3CAPIK3CDMTOR
SCHEMBL11925797 0.83 PIK3CA (0.49) PIK3CAPIK3CDMTORKIF11KDM4E
SCHEMBL8214040 0.82 PIK3CA (0.54) PIK3CAPIK3CDMTOR
SCHEMBL8206190 0.81 PIK3CD (0.43) PIK3CAPIK3CDMTORKIF11KDM4E
SCHEMBL11926865 0.79 PIK3CA (0.42) PIK3CAPIK3CDMTOR

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