⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL376069 | 0.79 | PIK3CD (0.31) | — | |
| SCHEMBL376577 | 0.78 | — | — | |
| SCHEMBL27239988 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL15285151 | 0.73 | — | — | |
| SCHEMBL146262 | 0.72 | — | — | |
| SCHEMBL2079080 | 0.69 | MMP2 (0.30) | — | |
| SCHEMBL3947201 | 0.68 | SSTR4 (0.33) | — | |
| SCHEMBL19468837 | 0.68 | — | — | |
| SCHEMBL24070869 | 0.66 | CHRM2 (0.35) | — | |
| SCHEMBL8990005 | 0.66 | NR1H2 (0.33) | — |
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-2328890-B1 | 6 SUBSTITUTED 2-HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER (US) | 2012-01-25 | — | — | EP | disclosed |
| US-20110144084-A1 | 6 SUBSTITUTED 2- HETEROCYCLYLAMINO PYRAZINE COMPOUNDS AS CHK-1 INHIBITORS | PFIZER INC (US) | 2011-06-16 | — | — | US | disclosed |