SCHEMBL31034673

SCHEMBL31034673

CNc1cccc(Nc2nc(Nc3cccc(OCCOC)c3)ncc2F)c1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.89
EGFR P00533 7/20 0.64
ITK Q08881 5/20 0.64
BTK Q06187 2/20 0.64
JAK2 O60674 1/20 0.64
LYN P07948 1/20 0.64
TEC P42680 1/20 0.64
TXK P42681 1/20 0.64
BMX P51813 1/20 0.64
JAK3 P52333 1/20 0.64
CD69 Q07108 1/20 0.64
AURKA O14965 1/20 0.60
CCNT1 O60563 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
CDK9 P50750 1/20 0.56

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
SCHEMBL656019 0.94 SYK (1.00) SYKEGFRITKBTKJAK2
SCHEMBL30150629 0.93 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL23388258 0.93 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL12518303 0.85 EGFR (0.88) SYKEGFRITKBTKJAK2
SCHEMBL23409017 0.83 SYK (0.68) SYKEGFRITKBTKJAK2
SCHEMBL27020093 0.82 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL13166285 0.82 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL23409083 0.82 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL29665636 0.82 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL15814263 0.82 SYK (0.74) SYKEGFRITKBTKJAK2

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-2024175999-A2 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS LTD. (GB) 2024-08-29 WO disclosed