SCHEMBL8911148

SCHEMBL8911148

Nc1nc(Cl)nc2c1ncn2CC(CO)OCP

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE8A O60658 7/20 0.45
HPRT1 P00492 1/20 0.44
CDK1 P06493 1/20 0.44
AHCY P23526 1/20 0.41
ADORA2A P29274 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
PNP P00491 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 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
SCHEMBL465830 0.88 CCNE1 (0.51) HPRT1CDK1AHCYADORA2ALMNA
SCHEMBL8911145 0.84 FGFR1 (0.54) HPRT1CYP3A4
SCHEMBL8421106 0.83 HPRT1 (0.42) HPRT1CDK1AHCYADORA2ALMNA
SCHEMBL10638325 0.83 LMNA (0.59) PDE8ACDK1ADORA2ALMNASMN1; SMN2
SCHEMBL6363452 0.81 AHCY (0.64) AHCYADORA2AALDH1A1CYP3A4
SCHEMBL99603 0.81 AHCY (0.64) AHCYADORA2AALDH1A1CYP3A4
SCHEMBL2927244 0.77 HPRT1 (0.72) HPRT1LMNASMN1; SMN2MEN1ALDH1A1
SCHEMBL8620522 0.76 CCNE1 (0.51) HPRT1CDK1AHCYADORA2APDE4D
SCHEMBL3860366 0.76 CCNE1 (0.51) HPRT1CDK1AHCYADORA2APDE4D
SCHEMBL3441119 0.75 CDK1 (0.58) PDE8ACDK1ADORA2ALMNACYP3A4

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
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 US disclosed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 US disclosed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 EP disclosed