SCHEMBL30582629

SCHEMBL30582629

C=CC(=O)N1CCC2(CC=C(c3c(C4COC4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 1/20 0.40
▸ JAK3 P52333 11/20 0.40
▸ JAK2 O60674 10/20 0.40
▸ JAK1 P23458 4/20 0.40
▸ BTK Q06187 4/20 0.39
▸ EGFR P00533 3/20 0.37
▸ FGFR1 P11362 4/20 0.36
▸ FGFR2 P21802 4/20 0.36
▸ FGFR3 P22607 4/20 0.36
▸ FGFR4 P22455 3/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ BLK P51451 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
SCHEMBL26589042 1.00 NUDT14 (0.40) NUDT14JAK3JAK2JAK1BTK
SCHEMBL30582534 0.84 NUDT14 (0.37) NUDT14JAK3JAK2JAK1BTK
SCHEMBL26134375 0.84 NUDT14 (0.37) NUDT14JAK3JAK2JAK1BTK
SCHEMBL26109437 0.83 LRRK2 (0.45) NUDT14JAK3JAK2JAK1BTK
SCHEMBL26587626 0.83 NUDT14 (0.40) NUDT14JAK3JAK2JAK1BTK
SCHEMBL26108641 0.83 RET (0.31) —
SCHEMBL30582532 0.83 BTK (0.37) NUDT14JAK3JAK2JAK1BTK
SCHEMBL30582524 0.82 NUDT14 (0.41) NUDT14JAK3JAK2JAK1BTK
SCHEMBL26588196 0.82 NUDT14 (0.39) NUDT14JAK3JAK2JAK1BTK
SCHEMBL30582533 0.81 ITK (0.42) NUDT14JAK3JAK2JAK1BTK

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499616-A1 SPIROBICYCLIC COMPOUNDS Acerand Therapeutics (Hong Kong) Limited (HK) 2025-02-05 — — EP disclosed
CN-119013260-A Spirobicyclic compounds 优领医药科技(香港)有限公司 2024-11-22 — — CN disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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