⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL908120 | 0.74 | — | — | |
| SCHEMBL8920730 | 0.72 | — | — | |
| SCHEMBL18938636 | 0.70 | — | — | |
| SCHEMBL790956 | 0.70 | MALT1 (0.30) | — | |
| SCHEMBL908014 | 0.65 | — | — | |
| SCHEMBL624468 | 0.65 | KDM4E (0.32) | — | |
| SCHEMBL789651 | 0.65 | — | — | |
| SCHEMBL14482163 | 0.65 | — | — | |
| SCHEMBL908257 | 0.65 | — | — | |
| SCHEMBL790731 | 0.65 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110053907-A1 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2011-03-03 | — | — | US | disclosed |
| EP-2276750-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | Auckland Uniservices Limited (NZ) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009120094-A2 | SUBSTITUTED PYRIMIDINES AND TRIAZINES AND THEIR USE IN CANCER THERAPY | AUCKLAND UNISERVICES LIMITED (NZ) | 2009-10-01 | — | — | WO | disclosed |