SCHEMBL9828664

SCHEMBL9828664

CC(=O)OCC(COC(C)C)OCn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
BLM P54132 2/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP3A4 P08684 1/20 0.66
NFKB1 P19838 1/20 0.66
VCP P55072 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
HIF1A Q16665 1/20 0.66
HBB P68871 2/20 0.55
MAPK1 P28482 1/20 0.55
PNP P00491 4/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
EDNRA P25101 1/20 0.53
HTR2A P28223 1/20 0.53
RECQL P46063 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL9583727 0.95 BLM (0.72) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9464079 0.92 BLM (0.73) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL5555694 0.90 PDE3A (0.79) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL10436186 0.90 MEN1 (0.68) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9828023 0.89 MEN1 (0.67) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9585855 0.88 PDE3A (0.75) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL9827036 0.88 BLM (0.81) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL10813813 0.86 MEN1 (0.71) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL10481417 0.85 PDE3A (0.69) PDE3AMEN1KMT2ABLMALDH1A1
SCHEMBL8474876 0.85 PDE3A (0.91) PDE3AMEN1KMT2ABLMALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0217207-B1 2-AMINO PURINES SUBSTITUTED IN POSITIONS 6 AND 9, THEIR USE, MEDICAMENTS CONTAINING THESE PURINES AND PROCESSES FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-10 EP claimed
EP-0400686-A1 2-Amino-9-[1,3bis-(isopropoxy)-propyl-2-oxymethyl]-purine, its utilization and medicaments containing it HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-05 EP disclosed
EP-0217207-A1 2-Amino purines substituted in positions 6 and 9, their use, medicaments containing these purines and processes for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1987-04-08 EP disclosed