⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9173195 | 0.77 | GABRR1 (0.39) | — | |
| SCHEMBL2123154 | 0.77 | TDP1 (0.50) | — | |
| SCHEMBL1564422 | 0.74 | — | — | |
| SCHEMBL15987 | 0.72 | — | — | |
| SCHEMBL20087849 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL14805475 | 0.70 | — | — | |
| SCHEMBL15981255 | 0.70 | — | — | |
| SCHEMBL8349174 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL2105576 | 0.69 | — | — | |
| SCHEMBL8137496 | 0.69 | TDP1 (0.42) | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12029791-B2 | Therapeutic conjugates | TOTUS MEDICINES INC. (US) | 2024-07-09 | — | — | US | disclosed |
| US-20240018156-A1 | SPIROCYCLIC COMPOUNDS | C4 THERAPEUTICS, INC. (US) | 2024-01-18 | — | — | US | disclosed |
| EP-3333164-B1 | HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF | KARYOPHARM THERAPEUTICS INC (US) | 2023-06-07 | — | — | EP | disclosed |
| US-9980964-B2 | ERK inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2018-05-29 | — | — | US | disclosed |
| US-20180072688-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2018-03-15 | — | — | US | disclosed |
| US-20180022713-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2018-01-25 | — | — | US | disclosed |
| US-9834551-B2 | Substituted pyrrolo[2,3-b]pyrazines and substituted pyrazolo[3,4-b]pyridines as ITK and JAK kinase inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2017-12-05 | — | — | US | disclosed |
| US-9796700-B2 | ERK inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-10-24 | — | — | US | disclosed |
| US-20170267685-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-09-21 | — | — | US | disclosed |
| US-20170210729-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-07-27 | — | — | US | disclosed |
| US-20150376208-A1 | MK2 INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-12-31 | — | — | US | disclosed |
| US-9206188-B2 | Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2015-12-08 | — | — | US | disclosed |
| US-9145387-B2 | ERK inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-09-29 | — | — | US | disclosed |
| US-9040547-B2 | Pyrrolopyrimidine and purine derivatives | PFIZER INC. (US) | 2015-05-26 | — | — | US | disclosed |
| US-20140315909-A1 | 3,5-(Un)substituted-1H-pyrrolo[2,3-b]pyridine, 1H-pyrazolo[3,4-b]pyridine and 5H- pyrrolo[2,3-b]pyrazine dual ITK and JAK3 Kinase Inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2014-10-23 | — | — | US | disclosed |
| US-20140296233-A1 | HETEROARYL COMPOUNDS AND USES THEREOF | SANOFI (FR) | 2014-10-02 | — | — | US | disclosed |
| US-20140228322-A1 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-08-14 | — | — | US | disclosed |
| US-20130079324-A1 | PYRROLOPYRIMIDINE AND PURINE DERIVATIVES | PFIZER INC. | 2013-03-28 | — | — | US | disclosed |
| US-6800434-B2 | Peptides as NS3-serine protease inhibitors of hepatitis C virus | SCHERING CORPORATION | 2004-10-05 | — | — | US | disclosed |
| US-4117135-A | NOVEL 5,6,7,8-TETRAHYDRO-5-QUINOLINES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | SCHERING, A.G. | 1978-09-26 | — | — | US | disclosed |