SCHEMBL26134375

SCHEMBL26134375

C=CC(=O)N1CCC2(CC=C(c3c(-c4ncc(C5CCOC5)cn4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NUDT14 O95848 1/20 0.37
▸ JAK2 O60674 11/20 0.37
▸ JAK3 P52333 11/20 0.37
▸ JAK1 P23458 6/20 0.37
▸ BTK Q06187 4/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ITK Q08881 1/20 0.35
▸ FGFR2 P21802 3/20 0.34
▸ FGFR1 P11362 2/20 0.34
▸ FGFR4 P22455 2/20 0.34
▸ FGFR3 P22607 2/20 0.34

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
SCHEMBL30582534 1.00 NUDT14 (0.37) NUDT14JAK2JAK3JAK1BTK
SCHEMBL30582524 0.92 NUDT14 (0.41) NUDT14JAK2JAK3JAK1BTK
SCHEMBL30582522 0.90 FGFR2 (0.36) NUDT14JAK2JAK3JAK1BTK
SCHEMBL26105835 0.87 SRC (0.37) EGFR
SCHEMBL30582632 0.87 SRC (0.37) EGFR
SCHEMBL30582532 0.87 BTK (0.37) NUDT14JAK2JAK3JAK1BTK
SCHEMBL30582502 0.86 FGFR1 (0.39) NUDT14JAK2JAK3JAK1BTK
SCHEMBL26588835 0.86 FGFR2 (0.39) NUDT14JAK2JAK3JAK1BTK
SCHEMBL26588196 0.86 NUDT14 (0.39) NUDT14JAK2JAK3JAK1BTK
SCHEMBL30582516 0.85 FGFR2 (0.43) ITKFGFR2FGFR1FGFR4FGFR3

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 2 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 disclosed
WO-2023192502-A1 SPIROBICYCLIC COMPOUNDS ACERAND THERAPEUTICS (USA) LIMITED (US) 2023-10-05 — — WO disclosed
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