⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2479185 | 0.87 | — | — | |
| SCHEMBL932416 | 0.77 | GNAI3 (0.39) | — | |
| SCHEMBL2559725 | 0.77 | CARM1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL15819855 | 0.75 | GNAI3 (0.42) | — | |
| SCHEMBL1559571 | 0.73 | KCNA3 (0.35) | — | |
| SCHEMBL13895170 | 0.70 | — | — | |
| SCHEMBL25176024 | 0.69 | — | — | |
| SCHEMBL2555175 | 0.69 | — | — | |
| SCHEMBL21395324 | 0.69 | — | — | |
| SCHEMBL21062065 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2373653-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010063634-A1 | PYRROLOPYRAZINYL UREA KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-06-10 | — | — | WO | disclosed |