SCHEMBL8091771

SCHEMBL8091771

CC(C)(c1cc(N)nc(-c2ccc(NC(=S)NCCO)cc2)n1)S(=O)(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.51
PIK3CA P42336 4/20 0.51
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 7/20 0.40
CA1 P00915 6/20 0.40
ALDH1A1 P00352 4/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
THRB P10828 1/20 0.38
CDK1 P06493 1/20 0.38
HPGD P15428 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL1755671 0.85 ALDH1A1 (0.39) PIK3CDPIK3CAKMT2ACA2CA1
SCHEMBL1755647 0.82 PIK3CD (0.45) PIK3CDPIK3CAGAAKMT2ACA2
SCHEMBL8217050 0.81 NAMPT (0.42) PIK3CDPIK3CAMTOR
SCHEMBL11925440 0.81 CA2 (0.42) PIK3CDPIK3CAKMT2ACA2CA1
SCHEMBL1755697 0.81 PTGS2 (0.44) PIK3CDPIK3CA
SCHEMBL739807 0.79 PIK3CA (0.83) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8217617 0.79 PIK3CA (0.41) PIK3CDPIK3CAGAACA2CA1
SCHEMBL8095008 0.79 CA1 (0.53) PIK3CDPIK3CAKMT2ACA2CA1
SCHEMBL8092498 0.78 PIK3CD (0.49) PIK3CDPIK3CAGAAKMT2ACA2
SCHEMBL8219081 0.78 NAMPT (0.43) PIK3CDPIK3CAKMT2AALDH1A1MTOR

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-2009007750-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USED IN DISEASES LINKED TO MTOR KINASE AND/OR PI3K ASTRAZENECA AB (SE) 2009-01-15 WO disclosed