⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13640228 | 0.81 | FFAR3 (0.30) | — | |
| SCHEMBL27458947 | 0.75 | LMNA (0.39) | — | |
| SCHEMBL13648015 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL23507069 | 0.74 | — | — | |
| SCHEMBL18950124 | 0.74 | — | — | |
| SCHEMBL12313637 | 0.72 | MMP1 (0.34) | — | |
| SCHEMBL13036571 | 0.71 | — | — | |
| SCHEMBL12849304 | 0.69 | — | — | |
| SCHEMBL2239024 | 0.67 | — | — | |
| SCHEMBL8604616 | 0.67 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9796700-B2 | ERK inhibitors and uses thereof | CELGENE CAR LLC (BM) | 2017-10-24 | — | — | US | disclosed |
| US-20170210729-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-07-27 | — | — | US | disclosed |
| US-20170137406-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2017-05-18 | — | — | US | disclosed |
| US-9561228-B2 | ERK inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2017-02-07 | — | — | US | disclosed |
| US-9504686-B2 | ERK inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-11-29 | — | — | US | disclosed |
| US-20160082008-A1 | ERK INHIBITORS AND USES THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2016-03-24 | — | — | US | disclosed |
| US-20160002176-A1 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-01-07 | — | — | US | disclosed |
| US-20150376208-A1 | MK2 INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-12-31 | — | — | US | disclosed |
| US-9145387-B2 | ERK inhibitors and uses thereof | CELGENE AVILOMICS RESEARCH, INC. (US) | 2015-09-29 | — | — | US | disclosed |
| WO-2014149164-A1 | MK2 INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2014124230-A2 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-08-14 | — | — | WO | disclosed |
| US-20140228322-A1 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2014-08-14 | — | — | US | disclosed |