SCHEMBL23409017

SCHEMBL23409017

CNc1ccc(Nc2nc(Nc3ccc(OCCOC)cc3)ncc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.68
AURKA O14965 3/20 0.67
EGFR P00533 7/20 0.63
ITK Q08881 3/20 0.63
BTK Q06187 2/20 0.63
JAK2 O60674 1/20 0.63
LYN P07948 1/20 0.63
TEC P42680 1/20 0.63
TXK P42681 1/20 0.63
BMX P51813 1/20 0.63
JAK3 P52333 1/20 0.63
CD69 Q07108 1/20 0.63

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
SCHEMBL25068921 0.93 SYK (0.64) SYKAURKAEGFRITKBTK
SCHEMBL30150629 0.91 SYK (0.77) SYKAURKAEGFRITKBTK
SCHEMBL23388258 0.91 SYK (0.77) SYKAURKAEGFRITKBTK
SCHEMBL23408964 0.91 SYK (0.68) SYKAURKAEGFRITKBTK
SCHEMBL22909543 0.91 SYK (0.69) SYKAURKAEGFRITKBTK
SCHEMBL25069015 0.88 SYK (0.68) SYKAURKAEGFRITKBTK
SCHEMBL25069016 0.87 SYK (0.64) SYKAURKAEGFRITKBTK
SCHEMBL25068907 0.87 SYK (0.64) SYKAURKAEGFRITKBTK
SCHEMBL21443531 0.86 EGFR (0.72) SYKAURKAEGFRITKBTK
SCHEMBL28704792 0.85 EGFR (0.66) SYKAURKAEGFRITKBTK

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-2021099842-A1 PENTAFLUOROBENZENESULFONAMIDE DERIVATIVES AND USES THEREOF 2692372 ONTARIO INC. (CA) 2021-05-27 WO disclosed