⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21287467 | 1.00 | — | — | |
| SCHEMBL22049076 | 1.00 | — | — | |
| SCHEMBL21287466 | 1.00 | — | — | |
| SCHEMBL12679240 | 0.72 | — | — | |
| SCHEMBL10868964 | 0.72 | — | — | |
| SCHEMBL21184800 | 0.72 | — | — | |
| SCHEMBL22968965 | 0.72 | — | — | |
| SCHEMBL14491061 | 0.71 | — | — | |
| SCHEMBL21845382 | 0.69 | — | — | |
| SCHEMBL22894942 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4169913-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021259077-A1 | SUBSTITUTED PYRAZINE COMPOUND, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2021-12-30 | — | — | WO | disclosed |
| EP-3753941-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | Shanghai Blueray Biopharma Co., Ltd. (CN) | 2020-12-23 | — | — | EP | disclosed |
| US-20200172546-A1 | PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS | RELAY THERAPEUTICS, INC. | 2020-06-04 | — | — | US | disclosed |
| WO-2020061103-A1 | FUSED TRICYCLIC RING DERIVATIVES AS SRC HOMOLOGY-2 PHOSPHATASE INHIBITORS | NIKANG THERAPEUTICS, INC. (US) | 2020-03-26 | — | — | WO | disclosed |
| WO-2019158019-A1 | PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海青煜医药科技有限公司 | 2019-08-22 | — | — | WO | disclosed |