SCHEMBL22909131

SCHEMBL22909131

CCCCOc1ccc(Nc2ncc(F)c(Nc3cccc(N)c3)n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.70
EGFR P00533 2/20 0.60
ITK Q08881 2/20 0.60
BTK Q06187 4/20 0.58
JAK2 O60674 1/20 0.58
LYN P07948 1/20 0.58
TEC P42680 1/20 0.58
TXK P42681 1/20 0.58
BMX P51813 1/20 0.58
JAK3 P52333 1/20 0.58
CD69 Q07108 1/20 0.58
AURKA O14965 3/20 0.57

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
SCHEMBL29665636 0.91 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL13166285 0.91 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL27020093 0.91 SYK (0.77) SYKEGFRITKBTKJAK2
SCHEMBL18737417 0.88 SYK (0.67) SYKEGFRITKBTKJAK2
SCHEMBL13166664 0.86 SYK (0.67) SYKEGFRITKBTKJAK2
SCHEMBL15814664 0.86 SYK (0.66) SYKEGFRITKBTKJAK2
SCHEMBL654783 0.84 SYK (0.78) SYKEGFRITKBTKJAK2
SCHEMBL14769319 0.84 SYK (0.59) SYKEGFRITKBTKJAK2
SCHEMBL656171 0.84 SYK (1.00) SYKEGFRITKBTKJAK2
SCHEMBL31294266 0.84 SYK (1.00) 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-2021009568-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO, INC. (CA) 2021-01-21 WO disclosed