⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24290438 | 0.75 | — | — | |
| SCHEMBL1485705 | 0.75 | — | — | |
| SCHEMBL15220287 | 0.74 | — | — | |
| SCHEMBL8119763 | 0.74 | — | — | |
| SCHEMBL361400 | 0.74 | — | — | |
| SCHEMBL1485850 | 0.72 | ADH1B (0.55) | — | |
| SCHEMBL15830373 | 0.72 | — | — | |
| SCHEMBL21948225 | 0.72 | — | — | |
| SCHEMBL24813437 | 0.72 | — | — | |
| SCHEMBL1374593 | 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-3842429-A1 | HETEROCYCLIC INHIBITORS OF ERK1 AND ERK2 AND THEIR USE IN THE TREATMENT OF CANCER | Asana BioSciences, LLC (US) | 2021-06-30 | — | — | EP | disclosed |
| WO-2020154474-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2020-07-30 | — | — | WO | disclosed |
| WO-2020081508-A1 | TYK2 INHIBITORS AND USES THEREOF | NIMBUS LAKSHMI, INC. (US) | 2020-04-23 | — | — | WO | disclosed |
| US-10577373-B2 | TYK2 inhibitors and uses thereof | Nimbus Lakshimi, Inc. (US) | 2020-03-03 | — | — | US | disclosed |
| US-20190256519-A1 | TYK2 INHIBITORS AND USES THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2019-08-22 | — | — | US | disclosed |
| EP-2215092-B1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-25 | — | — | EP | disclosed |