⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8582933 | 0.80 | — | — | |
| SCHEMBL4280552 | 0.73 | KDM4E (0.40) | — | |
| SCHEMBL5326540 | 0.71 | — | — | |
| SCHEMBL17748628 | 0.71 | — | — | |
| SCHEMBL5487787 | 0.71 | — | — | |
| SCHEMBL2654100 | 0.71 | — | — | |
| SCHEMBL70760 | 0.71 | HSD17B10 (0.44) | — | |
| SCHEMBL3430680 | 0.70 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL12468924 | 0.70 | TGM2 (0.47) | — | |
| SCHEMBL5478772 | 0.70 | ALDH1A1 (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288396-B2 | Pyrimidopyrimidoindazole derivative | MSDKK (JP) | 2012-10-16 | — | — | US | disclosed |
| US-20120134955-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-05-31 | — | — | US | disclosed |
| EP-2401281-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | MSD K.K. (JP) | 2012-01-04 | — | — | EP | disclosed |
| WO-2010098367-A1 | PYRIMIDOPYRIMIDOINDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-09-02 | — | — | WO | disclosed |