SCHEMBL31124363

SCHEMBL31124363

COCCn1cc(Nc2ncc3cnn(Cc4cccc(O)c4)c3n2)cn1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 12/20 0.73
▸ JAK2 O60674 10/20 0.49
▸ HDAC6 Q9UBN7 6/20 0.49
▸ JAK1 P23458 6/20 0.48
▸ TYK2 P29597 4/20 0.48
▸ AURKA O14965 1/20 0.48
▸ TTK P33981 1/20 0.48
▸ HDAC1 Q13547 2/20 0.45
▸ MAP3K7 O43318 2/20 0.45
▸ IGF1R P08069 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44

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
SCHEMBL1662508 0.86 JAK3 (0.54) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL21847311 0.84 JAK3 (1.00) JAK3JAK2JAK1TYK2AURKA
SCHEMBL24249372 0.84 JAK3 (0.75) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL28364421 0.84 JAK3 (0.84) JAK3JAK2JAK1TYK2AURKA
SCHEMBL21847096 0.84 JAK3 (0.84) JAK3JAK2JAK1TYK2AURKA
SCHEMBL12795445 0.81 JAK3 (0.60) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12795982 0.81 JAK3 (0.59) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12795241 0.80 JAK3 (0.59) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL31124449 0.79 JAK3 (0.60) JAK3JAK2HDAC6JAK1TYK2
SCHEMBL12801950 0.79 JAK3 (0.58) JAK3JAK2HDAC6JAK1TYK2

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-2024175998-A1 BENZENESULFONAMIDE DERIVATIVES AND USES THEREOF DUNAD THERAPEUTICS, LTD. (GB) 2024-08-29 — — WO disclosed
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