Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 4/20 | 0.41 |
| ▸ | JAK3 | P52333 | 3/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CDK9 | P50750 | 3/20 | 0.34 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 1/20 | 0.34 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.34 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL29700827 | 1.00 | S1PR1 (0.49) | S1PR1JAK2JAK3S1PR3SMN1; SMN2 | |
| SCHEMBL21760536 | 0.84 | S1PR1 (0.46) | S1PR1JAK2JAK3S1PR3SMN1; SMN2 | |
| SCHEMBL21760535 | 0.83 | CDK9 (0.38) | S1PR1JAK2JAK3SMN1; SMN2CDK9 | |
| SCHEMBL29700834 | 0.83 | CDK9 (0.38) | S1PR1JAK2JAK3SMN1; SMN2CDK9 | |
| SCHEMBL21747952 | 0.78 | JAK2 (0.52) | S1PR1JAK2JAK3S1PR3CDK9 | |
| SCHEMBL21747867 | 0.77 | JAK3 (0.40) | JAK3CYP11B2 | |
| SCHEMBL30090129 | 0.77 | ALK (0.36) | S1PR1JAK2JAK3CDK9SYK | |
| SCHEMBL21760569 | 0.77 | ALK (0.36) | S1PR1JAK2JAK3CDK9SYK | |
| SCHEMBL21747908 | 0.74 | JAK3 (0.50) | JAK3 | |
| SCHEMBL21753142 | 0.74 | CHRM4 (0.37) | JAK2JAK3CDK9PTK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3807274-B1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2022-07-27 | — | — | EP | disclosed |
| WO-2020039060-A1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2020-02-27 | — | — | WO | disclosed |
| EP-3613738-A1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | Lead Discovery Center GmbH (DE) | 2020-02-26 | — | — | EP | disclosed |