⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7738685 | 0.69 | NUDT1 (0.31) | — | |
| SCHEMBL7738684 | 0.69 | MAPK1 (0.33) | — | |
| SCHEMBL7744482 | 0.69 | SMPD3 (0.36) | — | |
| SCHEMBL10195823 | 0.69 | MEN1 (0.34) | — | |
| SCHEMBL7743984 | 0.63 | PDE10A (0.42) | — | |
| SCHEMBL2736399 | 0.60 | MAPT (0.70) | — | |
| SCHEMBL22104567 | 0.59 | PDE10A (0.42) | — | |
| SCHEMBL18878998 | 0.58 | SLC40A1 (0.38) | — | |
| SCHEMBL7738688 | 0.57 | MAPK1 (0.52) | — | |
| SCHEMBL2628389 | 0.57 | ADORA2A (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8119637-B2 | Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor | PLEXXIKON INC. (US) | 2012-02-21 | — | — | US | disclosed |
| US-8110576-B2 | Pyrrolo(2,3-b)pyrazine compounds; Raf kinase inhibitors including A-Raf, B-Raf and/or c-Raf-1 oncogenes; melanoma, colorectal cancer, thyroid cancer, ovarian cancer, cholangiocarcinoma, pain or polycystic kidney disease | PLEXXIKON INC. (US) | 2012-02-07 | — | — | US | disclosed |
| US-20090306087-A1 | Compounds and Methods for Kinase Modulation, and Indications Therefor | PLEXXIKON, INC. | 2009-12-10 | — | — | US | disclosed |
| US-20090306086-A1 | COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR | PLEXXIKON, INC. | 2009-12-10 | — | — | US | disclosed |