⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4110072 | 0.83 | — | — | |
| 8-Azaguanine SCHEMBL2934836 | 0.75 | PDPK1 (0.31) | — | |
| SCHEMBL9168849 | 0.73 | — | — | |
| SCHEMBL11326338 | 0.68 | — | — | |
| SCHEMBL2777107 | 0.68 | — | — | |
| SCHEMBL1724116 | 0.65 | GDA (0.41) | — | |
| SCHEMBL11842822 | 0.60 | PDPK1 (0.30) | — | |
| SCHEMBL9154126 | 0.59 | GDA (0.35) | — | |
| SCHEMBL4560508 | 0.58 | — | — | |
| SCHEMBL1952036 | 0.57 | SMN1; SMN2 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8354532-B2 | Pyrrolo [2,3-D] pyrimidines as non-nucleoside reverse transcriptase inhibitors for treatment of HIV | ARDEA BIOSCIENCES, INC. (US) | 2013-01-15 | — | — | US | disclosed |
| US-20120226037-A1 | PYRROLO [2,3-D] PYRIMIDINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | ARDEA BIOSCIENCES, INC. (US) | 2012-09-06 | — | — | US | disclosed |
| US-8227601-B2 | Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of HIV | ARDEA BIOSCIENCES, INC. (US) | 2012-07-24 | — | — | US | disclosed |
| US-20090124802-A1 | Diaryl-purines, azapurines and -deazapurines as non-nucleoside reverse transcriptase inhibitor for treatment of hiv | INTRABIOTICS PHARMACEUTICALS, INC. | 2009-05-14 | — | — | US | disclosed |
| EP-1877411-A4 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | ARDEA BIOSCIENCES INC (US) | 2008-10-22 | — | — | EP | disclosed |
| EP-1877411-A2 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | Ardea Biosciences, Inc. (US) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006122003-A2 | DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV | ARDEA BIOSCIENCES, INC. (US) | 2006-11-16 | — | — | WO | disclosed |