⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL9699780 | 0.98 | — | — | |
| SCHEMBL19100784 | 0.73 | — | — | |
| SCHEMBL9601345 | 0.60 | — | — | |
| SCHEMBL1154319 | 0.60 | — | — | |
| SCHEMBL3238162 | 0.57 | — | — | |
| SCHEMBL1691032 | 0.56 | — | — | |
| SCHEMBL12593799 | 0.56 | — | — | |
| SCHEMBL1268657 | 0.55 | — | — | |
| SCHEMBL9390073 | 0.54 | — | — | |
| SCHEMBL12520988 | 0.54 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103038230-B | Aminopyrimidine derivatives as LRRK2 modulators | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-25 | — | — | CN | disclosed |
| CN-103443074-B | Heterocyclic amine derivative | HOFFMAN-LA ROCHE LTD. (CH) | 2016-04-13 | — | — | CN | disclosed |
| CN-105246883-A | Dna-pk inhibitors | VERTEX PHARMA | 2016-01-13 | — | — | CN | disclosed |
| CN-105085482-A | Substituted piperazine compound, and usage method and application thereof | GUANGDONG HEC PHARMACEUTICAL | 2015-11-25 | — | — | CN | disclosed |
| CN-103313978-B | Pyrazole aminopyrimidine derivatives as LRRK2 modulators | HOFFMANN LA ROCHE | 2015-04-15 | — | — | CN | disclosed |
| CN-104271569-A | Pyrazolylaminopyrimidine derivatives as LRRK2 modulators | HOFFMANN LA ROCHE | 2015-01-07 | — | — | CN | disclosed |
| CN-103443074-A | Heterocyclic amine derivatives | HOFFMANN LA ROCHE | 2013-12-11 | — | — | CN | disclosed |
| US-8440674-B2 | Substituted pyrimidine compounds as RAF inhibitors and methods of use | AMGEN INC. (US) | 2013-05-14 | — | — | US | disclosed |
| EP-1976836-B9 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2013-02-06 | — | — | EP | disclosed |
| EP-1976836-B1 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC (US) | 2012-08-22 | — | — | EP | disclosed |
| EP-2481729-A1 | Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases | Amgen Inc. (US) | 2012-08-01 | — | — | EP | disclosed |
| US-20110251199-A1 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE | AMGEN INC. (US) | 2011-10-13 | — | — | US | disclosed |
| WO-2011097525-A1 | SOLID STATE FORMS OF MACROCYCLIC KINASE INHIBITORS | TRAGARA PHARMACEUTICALS, INC. (US) | 2011-08-11 | — | — | WO | disclosed |
| US-7989461-B2 | Substituted quinazolinamine compounds for the treatment of cancer | AMGEN INC. (US) | 2011-08-02 | — | — | US | disclosed |
| EP-1976836-A2 | NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | Amgen Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| US-20070185324-A1 | Nitrogen-containing bicyclic heteroaryl compounds and methods of use | AMGEN INC. | 2007-08-09 | — | — | US | disclosed |
| WO-2007076092-A2 | NITROGEN- CONTAINING BICYCLIC HETROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES | AMGEN INC. (US) | 2007-07-05 | — | — | WO | disclosed |