SCHEMBL26133571

SCHEMBL26133571

C=CC(=O)N1CCC2(CC=C(c3c(-c4cnn(C)c4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 10/20 0.49
▸ JAK2 O60674 9/20 0.49
▸ BTK Q06187 8/20 0.47
▸ JAK1 P23458 7/20 0.47
▸ TYK2 P29597 6/20 0.47
▸ NUDT14 O95848 1/20 0.38
▸ FGFR2 P21802 6/20 0.37
▸ FGFR1 P11362 4/20 0.37
▸ FGFR4 P22455 3/20 0.37
▸ FGFR3 P22607 3/20 0.37
▸ EGFR P00533 3/20 0.37

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
SCHEMBL30582526 1.00 JAK3 (0.49) JAK3JAK2BTKJAK1TYK2
SCHEMBL30582533 0.90 ITK (0.42) JAK3JAK2BTKJAK1TYK2
SCHEMBL30582528 0.87 BTK (0.38) JAK3JAK2BTKJAK1TYK2
SCHEMBL26587541 0.87 FGFR1 (0.47) BTKNUDT14FGFR2FGFR1FGFR4
SCHEMBL30582537 0.87 BTK (0.39) JAK3JAK2BTKJAK1TYK2
SCHEMBL26587553 0.87 BTK (0.39) JAK3JAK2BTKJAK1TYK2
SCHEMBL26588036 0.86 FGFR1 (0.42) JAK3JAK2BTKNUDT14FGFR2
SCHEMBL26587873 0.86 ITK (0.49) JAK3JAK2BTKJAK1TYK2
SCHEMBL26588196 0.86 NUDT14 (0.39) JAK3JAK2BTKJAK1TYK2
SCHEMBL30582604 0.86 SRC (0.40) EGFR

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