SCHEMBL8095771

SCHEMBL8095771

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.43
PIK3CA P42336 5/20 0.43
PIK3CB P42338 1/20 0.43
MTOR P42345 1/20 0.43
PIK3CG P48736 1/20 0.43
POLB P06746 1/20 0.37
KIF18A Q8NI77 4/20 0.35
JAK2 O60674 1/20 0.33
NAMPT P43490 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL8089962 0.99 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090278 0.97 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8081910 0.95 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090187 0.88 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8096026 0.87 POLB (0.40) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090420 0.86 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8089738 0.86 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8090994 0.85 POLB (0.39) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8093619 0.85 PIK3CD (0.41) PIK3CDPIK3CAMTORPOLBJAK2
SCHEMBL8096233 0.84 PIK3CD (0.40) PIK3CDPIK3CAPOLBNAMPTCYP2C19

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