SCHEMBL8095727

SCHEMBL8095727

NC(=O)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)C4CCCC4)CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.43
PIK3CA P42336 3/20 0.43
MTOR P42345 2/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KIF11 P52732 4/20 0.33
SGK1 O00141 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C19 P33261 1/20 0.33
ATR Q13535 1/20 0.32
ABL1 P00519 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
SCHEMBL8098257 0.91 PIK3CD (0.48) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8090939 0.88 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8096200 0.87 EPHX1 (0.47) MEN1ALDH1A1KMT2ACYP2C19
SCHEMBL8091758 0.84 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8098310 0.84 PIK3CD (0.47) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8083616 0.84 ATR (0.42) PIK3CDPIK3CAMTORMEN1ALDH1A1
SCHEMBL8095771 0.84 PIK3CD (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8082039 0.84 PIK3CD (0.46) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8091862 0.83 PIK3CD (0.38) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL8093447 0.83 MTOR (0.43) PIK3CDPIK3CAMTORPIK3CBPIK3CG

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-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed