SCHEMBL29908149

SCHEMBL29908149

CC(Nc1nc2ccc(-c3cn[nH]c3)cc2s1)C1CCCN1C#N

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 8/20 0.74
OTUD7B Q6GQQ9 1/20 0.49
PCSK9 Q8NBP7 1/20 0.45
LCK P06239 5/20 0.44
ITK Q08881 5/20 0.44
LRRK2 Q5S007 1/20 0.41
PI4KA P42356 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
MAP4K1 Q92918 1/20 0.40
PIP5K1C O60331 1/20 0.40
PIK3CG P48736 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL18987257 0.85 USP30 (1.00) USP30OTUD7BPCSK9LCKITK
SCHEMBL29908200 0.81 USP30 (0.72) USP30OTUD7BPCSK9LCKITK
SCHEMBL29908167 0.81 USP30 (0.75) USP30PI4KAPI4KBPIP5K1CPIK3CG
SCHEMBL17631787 0.74 USP30 (0.75) USP30OTUD7BLCKITKMAP4K1
SCHEMBL17631790 0.74 USP30 (0.75) USP30OTUD7BLCKITKMAP4K1
SCHEMBL18987081 0.74 USP30 (1.00) USP30OTUD7BPCSK9
SCHEMBL23221371 0.71 PCSK9 (0.55) USP30OTUD7BPCSK9LCKITK
SCHEMBL19017747 0.71 USP30 (0.77) USP30OTUD7BPCSK9LCKITK
SCHEMBL29908148 0.70 USP30 (0.67) USP30
SCHEMBL20051382 0.70 USP30 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122929-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2023-01-25 EP disclosed
EP-3390391-B1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2022-09-14 EP disclosed