Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.32 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.32 |
| ▸ | PRSS3 | P35030 | 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 | |
|---|---|---|---|---|
| SCHEMBL29726301 | 1.00 | CYP3A4 (0.42) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL30529344 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL25466066 | 0.72 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL24034376 | 0.71 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL25701676 | 0.70 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL31614761 | 0.69 | CYP3A4 (0.57) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL31523277 | 0.69 | CYP3A4 (0.46) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL21244383 | 0.69 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL27182476 | 0.69 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMRECQL | |
| SCHEMBL25184011 | 0.68 | CYP3A4 (0.52) | CYP3A4TSHRTDP1ATMRECQL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117836297-A | (S) -1- (5- ((pyridin-3-yl) thio) pyrazin-2-yl) -4'H,6' H-spiro [ piperidine-4, 5 '-pyrrolo [1,2-B ] pyrazol ] -4' -amine derivatives and similar compounds as SHP2 inhibitors for the treatment of, for example, cancer | 国家化学成分收集和筛选中心 | 2024-04-05 | — | — | CN | disclosed |
| EP-4313983-A1 | (S)-1-(5-((PYRIDIN-3-YL)THIO)PYRAZIN-2-YL)-4'H,6'H-SPIRO[PIPERIDINE-4,5'-PYRROLO [1,2-B]PYRAZOL]-4'-AMINE DERIVATIVES AND SIMILAR COMPOUNDS AS SHP2 INHIBITORS FOR THE TREATMENT OF E.G. CANCER | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2024-02-07 | — | — | EP | disclosed |
| CN-114728935-A | SHP2 inhibitor | IRBM股份公司 | 2022-07-08 | — | — | CN | disclosed |
| WO-2021028362-A1 | SHP2 INHIBITORS | IRBM S.P.A. (IT) | 2021-02-18 | — | — | WO | disclosed |
| EP-3772513-A1 | SHP2 INHIBITORS | C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) | 2021-02-10 | — | — | EP | disclosed |