SCHEMBL26109064

SCHEMBL26109064

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2ccc(OC3CCC3)nc2)c2c(N)ncnc21

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 3/20 0.34
▸ HRH3 Q9Y5N1 5/20 0.33
▸ ITK Q08881 1/20 0.32
▸ KCNH2 Q12809 3/20 0.32
▸ BTK Q06187 3/20 0.30
▸ RET P07949 1/20 0.30
▸ KDR P35968 1/20 0.30

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
SCHEMBL26108662 0.99 FLT3 (0.34) FLT3HRH3ITKKCNH2BTK
SCHEMBL26108721 0.97 KCNH2 (0.33) FLT3HRH3ITKKCNH2BTK
SCHEMBL26111158 0.92 — —
SCHEMBL26107996 0.91 ITK (0.35) ITKBTKRET
SCHEMBL26109498 0.88 FGFR1 (0.31) —
SCHEMBL26109846 0.88 KCNH2 (0.36) FLT3ITKKCNH2BTKRET
SCHEMBL30582525 0.86 ITK (0.44) FLT3ITKBTK
SCHEMBL26106008 0.85 ITK (0.35) ITKRET
SCHEMBL30582513 0.85 ITK (0.44) FLT3ITKBTK
SCHEMBL26108434 0.84 KCNH2 (0.30) KCNH2

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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