SCHEMBL24977487

SCHEMBL24977487

O=CN1CCC(CNc2nc3ccc(-c4cn[nH]c4)cc3s2)C1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.72
ROCK2 O75116 1/20 0.46
PCSK9 Q8NBP7 1/20 0.45
PI4KA P42356 3/20 0.45
PIK3CG P48736 3/20 0.45
PI4KB Q9UBF8 3/20 0.45
PIK3CD O00329 1/20 0.45
OTUD7B Q6GQQ9 1/20 0.44
LCK P06239 6/20 0.44
ITK Q08881 6/20 0.44
PIK3CA P42336 2/20 0.43

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
SCHEMBL19017747 0.87 USP30 (0.77) USP30ROCK2PCSK9PI4KAPIK3CG
SCHEMBL18987081 0.84 USP30 (1.00) USP30PCSK9OTUD7B
SCHEMBL18987182 0.81 USP30 (0.65) USP30ROCK2PCSK9PI4KAPIK3CG
SCHEMBL18987364 0.79 USP30 (0.65) USP30ROCK2PCSK9PI4KAPIK3CG
SCHEMBL29908200 0.76 USP30 (0.72) USP30ROCK2PCSK9PI4KAPIK3CG
Trifluoroacetic Acid SCHEMBL29908157 0.74 USP30 (0.56) USP30ROCK2PCSK9PI4KAPIK3CG
SCHEMBL20461980 0.72 TBK1 (0.48) USP30ROCK2PCSK9OTUD7BLCK
SCHEMBL17631787 0.71 USP30 (0.75) USP30OTUD7BLCKITK
SCHEMBL13457041 0.71 USP30 (0.56) USP30OTUD7BLCKITK
SCHEMBL17631790 0.71 USP30 (0.75) USP30OTUD7BLCKITK

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
EP-4122929-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2023-01-25 EP disclosed