SCHEMBL6897604

SCHEMBL6897604

CC(Cn1nc2nc(N)nc(N)c2n1)OCP(=O)(O)O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.46
HPRT1 P00492 2/20 0.42
TYMP P19971 1/20 0.37
FGFR1 P11362 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2D6 P10635 7/20 0.32
PNP P00491 1/20 0.32
FAP Q12884 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
SCHEMBL7268841 0.82 CYP3A4 (0.61) CYP3A4CYP2D6FAP
SCHEMBL7268821 0.82 CYP3A4 (0.61) CYP3A4CYP2D6FAP
SCHEMBL6899234 0.80 HPRT1 (0.57) CYP3A4HPRT1TYMPPNP
SCHEMBL6898752 0.80 HPRT1 (0.57) CYP3A4HPRT1TYMPPNP
SCHEMBL8934002 0.75 FAP (0.32) CYP3A4FAP
SCHEMBL8934000 0.75 FAP (0.32) CYP3A4FAP
SCHEMBL6896277 0.75 CYP3A4 (0.47) CYP3A4HPRT1TYMPCYP2D6PNP
SCHEMBL4312545 0.74 CYP3A4 (0.73) CYP3A4CYP2D6FAP
SCHEMBL30515122 0.74 CYP3A4 (0.73) CYP3A4CYP2D6FAP
SCHEMBL173030 0.74 CYP3A4 (0.73) CYP3A4CYP2D6FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3561272-B2 2004-09-02 JP claimed
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US claimed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP claimed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP claimed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO claimed
US-6653296-B1 2-phosphonomethoxypropyl derivatives of purine and pyrimidine bases INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2003-11-25 US disclosed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP disclosed
EP-0654037-A1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1995-05-24 EP disclosed
WO-1994003467-A2 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1994-02-17 WO disclosed