⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2111822 | 0.72 | — | — | |
| SCHEMBL311909 | 0.70 | ALDH1A1 (0.39) | — | |
| SCHEMBL10079981 | 0.67 | — | — | |
| SCHEMBL6851914 | 0.67 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL15543917 | 0.66 | PDE4A (0.36) | — | |
| SCHEMBL31529798 | 0.64 | PTGDR (0.31) | — | |
| SCHEMBL367712 | 0.64 | HSP90AA1 (0.31) | — | |
| SCHEMBL9765122 | 0.64 | MAPT (0.43) | — | |
| SCHEMBL2421806 | 0.63 | LMNA (0.30) | — | |
| SCHEMBL22288406 | 0.63 | ADORA2A (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112601752-A | Novel inhibitors of MAP4K1 | 伊克诺斯科学公司 | 2021-04-02 | — | — | CN | disclosed |
| EP-3312175-B1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RES INST CHEMICAL TECH (KR) | 2020-07-22 | — | — | EP | disclosed |
| EP-3630778-A1 | NOVEL INHIBITORS OF MAP4K1 | Ichnos Sciences SA (CH) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018215668-A1 | NOVEL INHIBITORS OF MAP4K1 | GLENMARK PHARMACEUTICALS S.A. (CH) | 2018-11-29 | — | — | WO | disclosed |
| EP-3312175-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | Korea Research Institute of Chemical Technology (KR) | 2018-04-25 | — | — | EP | disclosed |
| US-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2018-04-19 | — | — | US | disclosed |
| US-20180105527-A1 | HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2018-04-19 | — | — | US | disclosed |