SCHEMBL17631780

SCHEMBL17631780

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2ccccn2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.39
▸ UCHL1 P09936 2/20 0.38
▸ ALOX5 P09917 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HDAC3 O15379 1/20 0.33

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
SCHEMBL17632036 0.89 USP30 (0.50) USP30UCHL1
SCHEMBL17631604 0.86 DYRK1B (0.44) USP30UCHL1HSD17B10ALDH1A1
SCHEMBL17631685 0.86 DYRK1B (0.44) USP30UCHL1HSD17B10ALDH1A1
SCHEMBL17632047 0.86 USP30 (0.41) USP30UCHL1HSD17B10
SCHEMBL17632525 0.85 CHEK1 (0.41) USP30UCHL1CDK9SLC6A2SLC6A4
SCHEMBL17631430 0.85 USP30 (0.38) USP30UCHL1
SCHEMBL17632491 0.84 CHEK1 (0.42) USP30UCHL1SLC6A2SLC6A4
SCHEMBL17632487 0.84 USP30 (0.41) USP30UCHL1
SCHEMBL17631847 0.83 USP30 (0.37) USP30UCHL1CDK9
SCHEMBL17632937 0.83 CHEK1 (0.37) USP30UCHL1CDK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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