SCHEMBL5810091

SCHEMBL5810091

C[C@H](Cn1cnc2c(NC3CC3)nc(N)nc21)OCP(=O)(O)O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
CYP3A4 P08684 9/20 0.57
NR1I2 O75469 1/20 0.44
ALB P02768 1/20 0.44
PDE4D Q08499 1/20 0.44
CYP2D6 P10635 9/20 0.44
ABCB1 P08183 5/20 0.44

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
SCHEMBL5810125 1.00 POLB (0.59) POLBCYP3A4NR1I2ALBPDE4D
SCHEMBL6902397 0.96 POLB (0.55) POLBCYP3A4CYP2D6
SCHEMBL6902419 0.96 POLB (0.55) POLBCYP3A4CYP2D6
SCHEMBL6901947 0.95 POLB (0.54) POLBCYP3A4CYP2D6
SCHEMBL6901956 0.95 POLB (0.54) POLBCYP3A4CYP2D6
SCHEMBL6896822 0.83 CYP3A4 (0.58) POLBCYP3A4CYP2D6
SCHEMBL9177152 0.83 CYP3A4 (0.64) CYP3A4CYP2D6
SCHEMBL9177212 0.83 CYP3A4 (0.64) CYP3A4CYP2D6
SCHEMBL4312545 0.82 CYP3A4 (0.73) CYP3A4CYP2D6
SCHEMBL30515122 0.82 CYP3A4 (0.73) CYP3A4CYP2D6

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 14 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
EP-0821690-B1 Nucleotide analogues for the treatment of viral infections USTAV ORGANICKE CHEMIE A BIOCHEMIE AKADEMIE VED CESKE REPUBLIKY (CZ) 2012-06-13 EP disclosed
WO-2006114065-A2 USE OF COMPOUNDS TO INHIBIT NEOPLASIA INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY A CADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2006-11-02 WO disclosed
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
US-5977061-A VIRICIDE AGAINST DNA VIRUSES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1999-11-02 US disclosed
EP-0654037-B1 ANTIRETROVIRAL ENANTIOMERIC NUCLEOTIDE ANALOGS ACAD OF SCIENCE CZECH REPUBLIC (CZ) 1999-05-12 EP disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
WO-1996033200-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY ÚSTAV ORGANICKÉ CHEMIE A BIOCHEMIE AKADEMIE VED C^¿ESKÉ REPUBLIKY (CZ) 1996-10-24 WO 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