SCHEMBL8095121

SCHEMBL8095121

CNC(=S)Nc1ccc(-c2nc(N)cc(C(C)(C)S(=O)(=O)CCCO)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.43
PIK3CA P42336 9/20 0.43
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
PDGFRB P09619 2/20 0.33
KDR P35968 2/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 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
SCHEMBL8095127 0.90 PIK3CD (0.40) PIK3CDPIK3CAALDH1A1MEN1KMT2A
SCHEMBL8097366 0.85 PIK3CD (0.47) PIK3CDPIK3CAALDH1A1L3MBTL1MEN1
SCHEMBL1755698 0.79 ALDH1A1 (0.43) PIK3CAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL739763 0.79 PIK3CA (0.71) PIK3CDPIK3CAMTORPIK3CGPIK3CB
SCHEMBL8090381 0.78 PIK3CD (0.42) PIK3CDPIK3CAALDH1A1L3MBTL1MEN1
SCHEMBL8092752 0.77 PIK3CD (0.40) PIK3CDPIK3CAALDH1A1L3MBTL1MEN1
SCHEMBL8091771 0.76 PIK3CD (0.51) PIK3CDPIK3CAALDH1A1KMT2AKDM4E
SCHEMBL8214220 0.75 PIK3CA (0.48) PIK3CDPIK3CAALDH1A1MEN1KMT2A
SCHEMBL8213981 0.75 KIF11 (0.42) PIK3CDPIK3CAALDH1A1MEN1KMT2A
SCHEMBL8204669 0.75 KMT2A (0.45) PIK3CDPIK3CAALDH1A1MEN1KMT2A

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