SCHEMBL8090244

SCHEMBL8090244

NCc1ccc(S(=O)(=O)C2(c3cc(N)nc(-c4ccc(NC(N)=O)cc4)n3)CC2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.34
PIK3CD O00329 10/20 0.33
PIK3CA P42336 5/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
KDR P35968 2/20 0.33
EPHB4 P54760 2/20 0.33
TEK Q02763 1/20 0.33
PLAU P00749 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
CHEK1 O14757 1/20 0.31
USP28 Q96RU2 1/20 0.31
HSD11B1 P28845 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
PLG P00747 1/20 0.31
PLAT P00750 1/20 0.31
KLKB1 P03952 1/20 0.31
PRSS1 P07477 1/20 0.31

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
SCHEMBL8090786 0.86 SGK1 (0.37) MTORKDREPHB4TEK
SCHEMBL8083654 0.85 HSD11B1 (0.33) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8104712 0.80 IDO1 (0.40) MTORPIK3CDPIK3CAPIK3CG
SCHEMBL8083416 0.79 PIK3R1 (0.39) PIK3CA
SCHEMBL8091143 0.79 KIF11 (0.36) PIK3CDPIK3CAPRSS1
SCHEMBL8091710 0.78 PIK3CD (0.36) MTORPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL8091293 0.78 MAPT (0.42) MTORPIK3CAPIK3CG
SCHEMBL8082685 0.78 IDO1 (0.40) MTORPIK3CAPIK3CG
SCHEMBL8083616 0.78 ATR (0.42) MTORPIK3CDPIK3CA
SCHEMBL8090868 0.78 MTOR (0.38) MTORPIK3CDPIK3CAPIK3CG

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