SCHEMBL26107309

SCHEMBL26107309

C=CC(=O)N1CCC2(CC=C(c3c(-c4ncc(C#N)cn4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 1/20 0.37
▸ FGFR2 P21802 9/20 0.37
▸ JAK2 O60674 7/20 0.36
▸ JAK3 P52333 7/20 0.36
▸ JAK1 P23458 4/20 0.36
▸ KDR P35968 1/20 0.35
▸ BTK Q06187 4/20 0.35
▸ FGFR1 P11362 7/20 0.35
▸ FGFR3 P22607 6/20 0.35
▸ FGFR4 P22455 5/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ EGFR P00533 1/20 0.35

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
SCHEMBL30582497 1.00 NUDT14 (0.37) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL30582502 0.91 FGFR1 (0.39) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL30582524 0.90 NUDT14 (0.41) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL26588196 0.90 NUDT14 (0.39) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL30582516 0.89 FGFR2 (0.43) FGFR2KDRFGFR1FGFR3FGFR4
SCHEMBL26588640 0.88 FGFR1 (0.41) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL30582506 0.88 NUDT14 (0.36) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL26109437 0.88 LRRK2 (0.45) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL26588835 0.87 FGFR2 (0.39) NUDT14FGFR2JAK2JAK3JAK1
SCHEMBL30582563 0.86 SRC (0.36) JAK2JAK1KDREGFR

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
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO claimed
WO-2024091370-A1 5,6-FUSED BICYCLIC HETEROAROMATIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2024-05-02 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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