SCHEMBL8109734

SCHEMBL8109734

CCOCCC(=O)Nc1ccc(-c2nc(N)cc(CS(C)(=O)=O)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.45
PIK3CA P42336 6/20 0.45
MTOR P42345 4/20 0.43
NAMPT P43490 2/20 0.41
MAPT P10636 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 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
SCHEMBL8109730 0.90 PIK3CD (0.45) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8101525 0.88 TP53 (0.51) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8215198 0.86 PIK3CA (0.52) PIK3CDPIK3CAMTORNAMPTHPGD
SCHEMBL8101524 0.86 MEN1 (0.54) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8093349 0.84 PIK3CD (0.48) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8106097 0.83 PIK3CA (0.46) PIK3CDPIK3CAMTORNAMPTMAPT
SCHEMBL8103957 0.83 PIK3CD (0.47) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8099598 0.82 PIK3CD (0.45) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL8095869 0.82 PIK3CA (0.46) PIK3CDPIK3CAMTORMAPTMEN1
SCHEMBL3066782 0.82 PIK3CA (0.71) PIK3CDPIK3CAMTORPOLB

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-2009007749-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed