SCHEMBL26108992

SCHEMBL26108992

Nc1ncnc2c1c(-c1ccc(OC3CC3)cc1)c(C1=CCC3(CC1)CCN(C=CC=O)CC3)n2C(F)F

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 6/20 0.33
▸ KDR P35968 6/20 0.33
▸ TEK Q02763 6/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ BTK Q06187 11/20 0.32
▸ BLK P51451 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ERBB2 P04626 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ TEC P42680 1/20 0.32
▸ TXK P42681 1/20 0.32
▸ BMX P51813 1/20 0.32
▸ ITK Q08881 1/20 0.32
▸ ERBB4 Q15303 1/20 0.32

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
SCHEMBL26109846 0.89 KCNH2 (0.36) LCKKDRTEKKCNH2BTK
SCHEMBL30582628 0.87 LCK (0.37) LCKKDRTEKKCNH2
SCHEMBL26105815 0.87 LCK (0.37) LCKKDRTEKKCNH2
SCHEMBL30582507 0.86 BTK (0.43) BTKEGFRITK
SCHEMBL30582570 0.83 SRC (0.42) KDREGFRRET
SCHEMBL26106002 0.83 SRC (0.42) KDREGFRRET
SCHEMBL26105801 0.82 PTPN11 (0.35) LCKKDRTEKBTKBLK
SCHEMBL26108434 0.81 KCNH2 (0.30) KCNH2
SCHEMBL26108002 0.80 SRC (0.37) LCKKDRTEKBTKBLK
SCHEMBL26108721 0.80 KCNH2 (0.33) KCNH2BTKFLT3ITK

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
Send feedback