SCHEMBL30935289

SCHEMBL30935289

C=CC(=O)Nc1cc(OCCOC)cc(B(O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.43
EGFR P00533 14/20 0.43
ITK Q08881 4/20 0.43
JAK2 O60674 1/20 0.43
LYN P07948 1/20 0.43
TEC P42680 1/20 0.43
TXK P42681 1/20 0.43
BMX P51813 1/20 0.43
JAK3 P52333 1/20 0.43
CD69 Q07108 1/20 0.43
TGM2 P21980 1/20 0.43
MALT1 Q9UDY8 1/20 0.39

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
SCHEMBL30935094 0.85 EGFR (0.42) BTKEGFRITKTXKJAK3
SCHEMBL30935137 0.82 TGM2 (0.47) BTKEGFRITKJAK2LYN
SCHEMBL28310779 0.78 EGFR (0.58) BTKEGFRITKJAK2LYN
SCHEMBL28310060 0.77 TGM2 (0.67) BTKEGFRITKJAK2LYN
SCHEMBL30934987 0.75 EGFR (0.43) BTKEGFRITKJAK2JAK3
SCHEMBL30935107 0.75 EGFR (0.40) BTKEGFRITKJAK2LYN
SCHEMBL30935182 0.74 EGFR (0.48) EGFRITK
SCHEMBL30935106 0.74 TGM2 (0.53) BTKEGFRITKTGM2
SCHEMBL28463718 0.71 EGFR (0.63) BTKEGFRITKJAK2LYN
SCHEMBL30935247 0.71 TGM2 (0.53) BTKEGFRITKJAK2JAK3

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-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed