⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18715970 | 1.00 | — | — | |
| SCHEMBL28081642 | 0.81 | — | — | |
| SCHEMBL8486814 | 0.79 | ALDH1A1 (0.44) | — | |
| SCHEMBL10666147 | 0.76 | — | — | |
| SCHEMBL887536 | 0.73 | — | — | |
| SCHEMBL9512718 | 0.69 | — | — | |
| SCHEMBL9452642 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL13450934 | 0.69 | — | — | |
| SCHEMBL1980632 | 0.69 | — | — | |
| SCHEMBL11045907 | 0.69 | ALDH1A1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9771366-B2 | Substituted tetrahydropyrido[3′,2′:4,5]pyrrolo[1,2-a]pyrazine-2-carboxamides as RSK inhibitors | PHOENIX MOLECULAR DESIGN (CA) | 2017-09-26 | — | — | US | disclosed |
| US-20170240549-A1 | TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[1,2-a]PYRAZINE-2-CARBOXAMIDE DERIVATIVES USEFUL AS RSK INHIBITORS | PHOENIX MOLECULAR DESIGNS (CA) | 2017-08-24 | — | — | US | disclosed |