⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9464929 | 0.77 | NOS1 (0.38) | — | |
| SCHEMBL541185 | 0.62 | NOS1 (0.32) | — | |
| SCHEMBL4729301 | 0.62 | — | — | |
| SCHEMBL8427375 | 0.60 | CYP2A6 (0.31) | — | |
| SCHEMBL6534044 | 0.58 | — | — | |
| SCHEMBL11582427 | 0.58 | — | — | |
| SCHEMBL15940234 | 0.57 | — | — | |
| SCHEMBL5967475 | 0.57 | SMPD3 (0.32) | — | |
| SCHEMBL1824256 | 0.56 | NFKB1 (0.33) | — | |
| SCHEMBL2067806 | 0.56 | ADORA2A (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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11376260-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2022-07-05 | — | — | US | disclosed |
| US-20210106593-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2021-04-15 | — | — | US | disclosed |
| US-10842799-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2020-11-24 | — | — | US | disclosed |
| US-20200078371-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2020-03-12 | — | — | US | disclosed |
| US-20190192534-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2019-06-27 | — | — | US | disclosed |
| US-10278975-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2019-05-07 | — | — | US | disclosed |
| EP-3077401-B1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH INC (US) | 2018-04-18 | — | — | EP | disclosed |
| US-9867833-B2 | Serine/threonine kinase inhibitors | GENENTECH, INC. (US) | 2018-01-16 | — | — | US | disclosed |
| US-20180000833-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2018-01-04 | — | — | US | disclosed |
| EP-3077401-A1 | SERINE/THREONINE KINASE INHIBITORS | Genentech, Inc. (US) | 2016-10-12 | — | — | EP | disclosed |
| US-20150182537-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-07-02 | — | — | US | disclosed |
| WO-2015085007-A1 | SERINE/THREONINE KINASE INHIBITORS | GENENTECH, INC. (US) | 2015-06-11 | — | — | WO | disclosed |
| US-20090270361-A1 | Substituted pyrazole derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-10-29 | — | — | US | disclosed |