SCHEMBL26109846

SCHEMBL26109846

Cn1c(C2=CCC3(CC2)CCN(C=CC=O)CC3)c(-c2ccc(OC3CC3)cc2)c2c(N)ncnc21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ LCK P06239 5/20 0.34
▸ KDR P35968 5/20 0.34
▸ TEK Q02763 5/20 0.34
▸ BTK Q06187 10/20 0.34
▸ BLK P51451 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ RET P07949 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TEC P42680 1/20 0.33
▸ TXK P42681 1/20 0.33
▸ BMX P51813 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33

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
SCHEMBL26108002 0.92 SRC (0.37) LCKKDRTEKBTKBLK
SCHEMBL26108721 0.90 KCNH2 (0.33) KCNH2BTKFLT3ITK
SCHEMBL26108434 0.90 KCNH2 (0.30) KCNH2
SCHEMBL26108992 0.89 LCK (0.33) KCNH2LCKKDRTEKBTK
SCHEMBL26105801 0.89 PTPN11 (0.35) PTPN11LCKKDRTEKBTK
SCHEMBL26108781 0.88 BTK (0.35) PTPN11KDRTEKBTKEGFR
SCHEMBL26109060 0.88 BTK (0.35) LCKKDRTEKBTKBLK
SCHEMBL26109064 0.88 FLT3 (0.34) KCNH2KDRBTKRETFLT3
SCHEMBL26108662 0.88 FLT3 (0.34) KCNH2LCKKDRTEKBTK
SCHEMBL30582625 0.86 KCNH2 (0.39) KCNH2PTPN11LCKKDRTEK

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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