Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK14 | O94921 | 6/20 | 0.57 |
| ▸ | CCNY | Q8ND76 | 6/20 | 0.57 |
| ▸ | IRAK1 | P51617 | 2/20 | 0.54 |
| ▸ | PIP4K2A | P48426 | 5/20 | 0.52 |
| ▸ | PIP4K2B | P78356 | 5/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.52 |
| ▸ | MAPK9 | P45984 | 3/20 | 0.52 |
| ▸ | MAPK10 | P53779 | 3/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.52 |
| ▸ | CDK7 | P50613 | 3/20 | 0.51 |
| ▸ | CCNH | P51946 | 2/20 | 0.51 |
| ▸ | MNAT1 | P51948 | 2/20 | 0.51 |
| ▸ | CDK2 | P24941 | 2/20 | 0.51 |
| ▸ | CDK9 | P50750 | 2/20 | 0.51 |
| ▸ | BTK | Q06187 | 1/20 | 0.51 |
| ▸ | CDK1 | P06493 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28421375 | 1.00 | CDK14 (0.57) | CDK14CCNYIRAK1PIP4K2APIP4K2B | |
| SCHEMBL21481530 | 0.89 | CDK14 (0.50) | CDK14CCNYIRAK1PIP4K2APIP4K2B | |
| SCHEMBL28421495 | 0.88 | HDAC3 (0.53) | CDK14CCNYIRAK1HDAC3HDAC1 | |
| SCHEMBL21282754 | 0.88 | HDAC3 (0.53) | CDK14CCNYIRAK1HDAC3HDAC1 | |
| SCHEMBL21282715 | 0.82 | IRAK1 (0.57) | CDK14CCNYIRAK1PIP4K2APIP4K2B | |
| SCHEMBL28421380 | 0.82 | IRAK1 (0.57) | CDK14CCNYIRAK1PIP4K2APIP4K2B | |
| SCHEMBL28928229 | 0.82 | IRAK1 (0.56) | CDK14CCNYIRAK1PIP4K2APIP4K2B | |
| SCHEMBL21282759 | 0.81 | EGFR (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL28424597 | 0.81 | EGFR (0.48) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL21481529 | 0.81 | IRAK1 (0.55) | CDK14CCNYIRAK1PIP4K2APIP4K2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111247137-A | Pyrimidine compound, preparation method and medical application thereof | 恩瑞生物医药科技（上海）有限公司 | 2020-06-05 | — | — | CN | disclosed |
| WO-2019157959-A1 | PYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 恩瑞生物医药科技（上海）有限公司 | 2019-08-22 | — | — | WO | disclosed |