Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 10/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 8/20 | 0.38 |
| ▸ | CDK1 | P06493 | 5/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 5/20 | 0.38 |
| ▸ | CCND1 | P24385 | 5/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 5/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.38 |
| ▸ | CDK4 | P11802 | 4/20 | 0.38 |
| ▸ | CCND3 | P30281 | 4/20 | 0.38 |
| ▸ | CDK9 | P50750 | 4/20 | 0.38 |
| ▸ | CDK7 | P50613 | 3/20 | 0.38 |
| ▸ | CCNH | P51946 | 3/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 3/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.36 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23001261 | 0.83 | CDK2 (0.46) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL29631625 | 0.81 | CCNE1 (0.55) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL22901115 | 0.81 | CCNE1 (0.55) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL22901104 | 0.80 | CDK2 (0.50) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL22900808 | 0.79 | CCNE1 (0.56) | ACHECDK2CCNE1CDK1CCNB1 | |
| SCHEMBL22997626 | 0.78 | CDK2 (0.42) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL26919043 | 0.78 | IKBKB (0.46) | ACHELRRK2CDK2CCNE1CDK1 | |
| SCHEMBL23001264 | 0.78 | ULK1 (0.49) | CDK2CCNE1CDK1CCNB1CCND1 | |
| SCHEMBL14657536 | 0.78 | MAPK8 (0.45) | LRRK2MAPK8MAPK9PRKCQ | |
| SCHEMBL14657538 | 0.78 | MAPK8 (0.45) | LRRK2MAPK8MAPK9PRKCQ |
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-2021030537-A1 | IMIDAZOLYL PYRIMIDINYLAMINE COMPOUNDS AS CDK2 INHIBITORS | INCYTE CORPORATION (US) | 2021-02-18 | — | — | WO | disclosed |