SCHEMBL7745036

SCHEMBL7745036

CC(C)[C@H](N)C(=O)OCC(COC(=O)[C@@H](N)C(C)C)Cn1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 1/20 0.71
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
HBB P68871 2/20 0.69
MAPK1 P28482 1/20 0.69
HPRT1 P00492 11/20 0.62
BLM P54132 2/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
NFKB1 P19838 1/20 0.52
VCP P55072 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HIF1A Q16665 1/20 0.52
PNP P00491 2/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51
EDNRA P25101 1/20 0.51
HTR2A P28223 1/20 0.51
RECQL P46063 1/20 0.51

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
Hydrochloric Acid SCHEMBL7749498 0.99 HBB (0.71) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL7750986 0.95 PDE3A (0.73) PDE3AMEN1KMT2AHBBMAPK1
Hydrochloric Acid SCHEMBL7749599 0.94 PDE3A (0.72) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711556 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711558 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL708703 0.93 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL8447226 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL708704 0.93 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL7077795 0.93 PDE3A (0.68) PDE3AMEN1KMT2AHBBMAPK1
SCHEMBL711557 0.93 MEN1 (0.70) PDE3AMEN1KMT2AHBBMAPK1

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-1019404-A4 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMW SCIENT IND RES ORG (AU) 2001-07-04 EP disclosed
EP-1019404-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2000-07-19 EP disclosed
WO-1999012927-A1 PURINE ACYCLONUCLEOSIDES AS ANTIVIRAL AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-03-18 WO disclosed