SCHEMBL26108721

SCHEMBL26108721

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2ccc(OC3CC3)nc2)c2c(N)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.33
▸ FLT3 P36888 3/20 0.31
▸ ITK Q08881 1/20 0.31
▸ PRKD3 O94806 1/20 0.31
▸ BTK Q06187 4/20 0.31
▸ HRH3 Q9Y5N1 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 0.97 FLT3 (0.34) KCNH2FLT3ITKBTKHRH3
SCHEMBL26109064 0.97 FLT3 (0.34) KCNH2FLT3ITKBTKHRH3
SCHEMBL26111158 0.94 — —
SCHEMBL26107996 0.92 ITK (0.35) ITKBTK
SCHEMBL26109846 0.90 KCNH2 (0.36) KCNH2FLT3ITKBTK
SCHEMBL26109498 0.89 FGFR1 (0.31) —
SCHEMBL26108434 0.87 KCNH2 (0.30) KCNH2
SCHEMBL26106008 0.87 ITK (0.35) ITK
SCHEMBL26109211 0.86 PIK3CD (0.33) BTK
SCHEMBL30582593 0.86 KCNH2 (0.34) KCNH2PRKD3

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 1 patent. 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
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