SCHEMBL26104650

SCHEMBL26104650

C=CC(=O)N1CCC2(CC=C(c3c(-c4ccc(OC5CC5)nc4)c4c(N)ncnc4n3C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ITK Q08881 2/20 0.43
▸ BTK Q06187 16/20 0.41
▸ BLK P51451 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL30582523 1.00 ITK (0.43) ITKBTKBLKFGFR1FGFR4
SCHEMBL30582525 0.97 ITK (0.44) ITKBTKBLK
SCHEMBL30582513 0.97 ITK (0.44) ITKBTKBLK
SCHEMBL30582574 0.94 ITK (0.40) ITKBTKBLKFGFR1FGFR4
SCHEMBL30582508 0.91 ITK (0.48) ITKBTKFGFR1FGFR4
SCHEMBL26587732 0.91 BTK (0.44) ITKBTKFGFR1FGFR4EGFR
SCHEMBL30582518 0.89 ITK (0.40) ITKBTKBLKFGFR1FGFR4
SCHEMBL30582594 0.88 SRC (0.41) EGFR
SCHEMBL26107396 0.88 SRC (0.41) EGFR
SCHEMBL31219342 0.88 ITK (0.40) ITKBTKFGFR1FGFR4EGFR

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