SCHEMBL2861664

SCHEMBL2861664

CCCC(=O)OCCOCn1c(C(=O)CCC)nc2c(=O)[nH]c(N)nc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 11/20 0.52
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HBB P68871 2/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
EDNRA P25101 1/20 0.40
HTR2A P28223 1/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPRT1 P00492 3/20 0.37
POLG P54098 1/20 0.37

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
SCHEMBL2434143 0.80 PNP (0.57) PNPKMT2AMEN1HBBMAPK1
SCHEMBL2858495 0.78 PNP (0.53) PNPKMT2AMEN1HBBMAPK1
SCHEMBL9566544 0.76 PNP (0.71) PNPKMT2AMEN1HBBMAPK1
SCHEMBL9019935 0.73 MEN1 (0.68) PNPKMT2AMEN1HBBMAPK1
SCHEMBL8781905 0.72 PNP (0.55) PNPKMT2AMEN1HBBMAPK1
SCHEMBL12671989 0.71 MEN1 (0.66) PNPKMT2AMEN1HBBMAPK1
SCHEMBL8445568 0.69 MEN1 (0.73) PNPKMT2AMEN1HBBMAPK1
SCHEMBL31043036 0.68 PNP (0.78) PNPKMT2AMEN1HBBALDH1A1
SCHEMBL14421640 0.68 PNP (0.74) PNPKMT2AMEN1HBBMAPK1
SCHEMBL7198505 0.68 PNP (0.53) PNPKMT2AMEN1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142548-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS Ramot at Tel-Aviv University Ltd. (IL) 2010-01-13 EP disclosed
WO-2008120205-A1 NOVEL DERIVATIVES OF PURINIC AND PYRIMIDINIC ANTIVIRAL AGENTS AND USE THEREOF AS POTENT ANTICANCER AGENTS RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2008-10-09 WO disclosed