Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.38 |
| ▸ | CDK2 | P24941 | 2/20 | 0.38 |
| ▸ | CDK7 | P50613 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CCNH | P51946 | 2/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 13/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.36 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19785441 | 1.00 | IRAK4 (0.39) | IRAK4CDK1CDK4CCNE1CDK2 | |
| SCHEMBL19785342 | 0.87 | PTPN11 (0.41) | IRAK4CDK9PTPN11KCNH2CCNT1 | |
| SCHEMBL25514417 | 0.87 | PTPN11 (0.40) | CCNE1CDK2CDK7CCNHMNAT1 | |
| SCHEMBL25514421 | 0.85 | CCNT1 (0.45) | IRAK4CDK9PTPN11KCNH2CCNT1 | |
| SCHEMBL19785567 | 0.85 | PTPN11 (0.42) | IRAK4CDK9PTPN11KCNH2CCNT1 | |
| SCHEMBL19785257 | 0.83 | PTPN11 (0.38) | PTPN11KCNH2CCNT1 | |
| SCHEMBL25514397 | 0.80 | PTPN11 (0.44) | PTPN11KCNH2CCNT1 | |
| SCHEMBL25514404 | 0.79 | PTPN11 (0.43) | PTPN11KCNH2CCNT1 | |
| SCHEMBL19785255 | 0.78 | PTPN11 (0.40) | PTPN11KCNH2CCNT1 | |
| SCHEMBL30295976 | 0.78 | PTPN11 (0.40) | PTPN11KCNH2CCNT1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018013597-A1 | 2,5-DISUBSTITUTED 3-METHYL PYRAZINES AND 2,5,6-TRISUBSTITUTED 3-METHYL PYRAZINES AS ALLOSTERIC SHP2 INHIBITORS | Revolution Medicines, Inc. (US) | 2018-01-18 | — | — | WO | disclosed |