SCHEMBL8095008

SCHEMBL8095008

CN(C)CCNC(=S)Nc1ccc(-c2nc(N)cc(C(C)(C)S(C)(=O)=O)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CA12 O43570 1/20 0.53
PIK3CD O00329 7/20 0.52
PIK3CA P42336 7/20 0.52
CA9 Q16790 4/20 0.48
POLB P06746 2/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL8212594 0.90 PIK3CA (0.49) PIK3CDPIK3CAPOLBMTOR
SCHEMBL8097366 0.84 PIK3CD (0.47) PIK3CDPIK3CALMNAKDM4ENPC1
SCHEMBL8214217 0.80 CA12 (0.46) CA1CA2CA12PIK3CDPIK3CA
SCHEMBL737935 0.79 PIK3CA (0.84) PIK3CDPIK3CAMTOR
SCHEMBL8091771 0.79 PIK3CD (0.51) CA1CA2CA12PIK3CDPIK3CA
SCHEMBL8216529 0.79 PIK3CD (0.53) PIK3CDPIK3CAMEN1KMT2AMTOR
SCHEMBL8206578 0.78 PIK3CD (0.46) PIK3CDPIK3CALMNAKDM4EALDH1A1
SCHEMBL8215180 0.78 NAMPT (0.46) PIK3CDPIK3CAPOLBMTOR
SCHEMBL8214526 0.78 PIK3CD (0.61) PIK3CDPIK3CAMTOR
SCHEMBL8214032 0.78 ATM (0.45) CA1CA2CA12PIK3CDPIK3CA

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