⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20959564 | 0.89 | CCNT1 (0.30) | — | |
| SCHEMBL20913352 | 0.83 | TP53 (0.35) | — | |
| SCHEMBL24052556 | 0.82 | — | — | |
| SCHEMBL16036398 | 0.82 | TP53 (0.33) | — | |
| SCHEMBL24052553 | 0.82 | — | — | |
| SCHEMBL25857099 | 0.81 | HCAR1 (0.31) | — | |
| SCHEMBL26501278 | 0.79 | CDK1 (0.54) | — | |
| SCHEMBL28175196 | 0.79 | — | — | |
| SCHEMBL20959479 | 0.79 | CCNT1 (0.31) | — | |
| SCHEMBL16076736 | 0.78 | STK17B (0.37) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11643416-B2 | Substituted 1′,2′-dihydro-3′H-spiro[cyclohexane-1,4′-pyrimido[5′,4′:4,5]pyrrolo[2,1-c][1,2,4]triazin]-3′-ones as cyclin-dependent kinase inhibitors | G1 THERAPEUTICS, INC. (US) | 2023-05-09 | — | — | US | disclosed |
| EP-3858835-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 Therapeutics, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |
| US-20210047328-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | US | disclosed |
| US-20210047328-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 THERAPEUTICS, INC. (US) | 2021-02-18 | — | — | US | disclosed |
| US-10829490-B2 | Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents | GI Therapeutics, Inc. (US) | 2020-11-10 | — | — | US | disclosed |
| US-10829490-B2 | Substituted dihydropyrazino[1 ′,2′:1,5]pyrrolo[2,3-d]pyrimidine-based antiproliferative agents | GI Therapeutics, Inc. (US) | 2020-11-10 | — | — | US | disclosed |
| US-20190135811-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 THERAPEUTICS, INC. (US) | 2019-05-09 | — | — | US | disclosed |
| US-20190135811-A1 | PYRIMIDINE-BASED ANTIPROLIFERATIVE AGENTS | G1 THERAPEUTICS, INC. (US) | 2019-05-09 | — | — | US | disclosed |