SCHEMBL30122249

SCHEMBL30122249

Brc1ccc2nn(C3CCOCC3)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 18/20 0.41
TLR8 Q9NR97 1/20 0.40
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CLK1 P49759 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11890643 0.89 TLR8 (0.44) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL31559923 0.88 IRAK4 (0.41) IRAK4MAPTHTT
SCHEMBL29042022 0.87 IRAK4 (0.39) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL29042026 0.87 IRAK4 (0.39) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL21810482 0.85 TLR8 (0.36) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL30676504 0.83 IRAK4 (0.36) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL29041967 0.82 IRAK4 (0.43) IRAK4TLR8ALDH1A1MAPTHTT
SCHEMBL15910733 0.82 IRAK4 (0.45) IRAK4TLR8ALDH1A1MAPT
SCHEMBL27004828 0.82 IRAK4 (0.44) IRAK4TLR8
SCHEMBL25339190 0.82 TLR8 (0.40) IRAK4TLR8ALDH1A1MAPTHTT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116478145-B ALK2 kinase inhibitors 杭州邦顺制药有限公司 2024-02-02 CN disclosed
WO-2023198114-A1 ALK2 KINASE INHIBITOR 杭州邦顺制药有限公司 2023-10-19 WO disclosed
CN-116478145-A ALK2 kinase inhibitors 杭州邦顺制药有限公司 2023-07-25 CN disclosed
CN-115572260-A Aryl ether compound and use thereof 四川科伦博泰生物医药股份有限公司 2023-01-06 CN disclosed