Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SYK | P43405 | 2/20 | 0.50 |
| ▸ | AURKA | O14965 | 3/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.47 |
| ▸ | BRD4 | O60885 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.44 |
| ▸ | ITK | Q08881 | 1/20 | 0.44 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | ATR | Q13535 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.41 |
| ▸ | BMX | P51813 | 1/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.41 |
| ▸ | HTR3B | O95264 | 1/20 | 0.41 |
| ▸ | HTR3A | P46098 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17261087 | 0.88 | MAPKAPK2 (0.47) | SYKAURKABRD4CYP17A1ROCK1 | |
| SCHEMBL28189261 | 0.84 | NPC1 (0.57) | SYKAURKAAURKBITKROCK1 | |
| SCHEMBL28039312 | 0.84 | SYK (0.48) | SYKAURKAAURKBBRD4CYP17A1 | |
| SCHEMBL28039617 | 0.83 | SYK (0.48) | SYKAURKAAURKBBRD4CYP17A1 | |
| SCHEMBL4648083 | 0.82 | ATR (0.52) | CYP17A1ATRLCK | |
| SCHEMBL31380442 | 0.81 | AAK1 (0.52) | SYKBRD4CYP17A1ATRHDAC3 | |
| SCHEMBL690643 | 0.81 | CDK1 (0.49) | SYKAURKAAURKBBRD4CYP17A1 | |
| SCHEMBL24464165 | 0.81 | ATR (0.39) | CDK1EGFRSRCATR | |
| SCHEMBL4522396 | 0.81 | SYK (0.56) | SYKBRD4CYP17A1CDK1EGFR | |
| SCHEMBL4180112 | 0.81 | SYK (0.57) | SYKBRD4CDK1EGFRSRC |
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 |
|---|---|---|---|---|---|---|---|
| CN-108721298-A | As the pyrimido heterocyclic compound of bruton's tyrosine kinase inhibitor and its application | 华东理工大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-108727382-A | Heterocyclic compound as BTK inhibitor and its application | 华东理工大学 | 2018-11-02 | — | — | CN | disclosed |
| CN-105985342-B | As the pyrimido-pyrimidine derovatives of EGFR inhibitor and its application | 华东理工大学 | 2018-07-24 | — | — | CN | disclosed |
| CN-107129506-A | It is used as pyrimido [4,5-d] [1,3] oxazine -2- ketone derivatives and its application of EGFR inhibitor | 华东理工大学 | 2017-09-05 | — | — | CN | disclosed |