SCHEMBL17632047

SCHEMBL17632047

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2ccncc2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.41
▸ UCHL1 P09936 2/20 0.39
▸ CHEK1 O14757 3/20 0.38
▸ CDK2AP1 O14519 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.34
▸ AKT1 P31749 2/20 0.33
▸ MAP4K3 Q8IVH8 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ CDC7 O00311 1/20 0.32

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
SCHEMBL17631430 0.91 USP30 (0.38) USP30UCHL1CHEK1DYRK1BWNT1
SCHEMBL17632036 0.91 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17631685 0.90 DYRK1B (0.44) USP30UCHL1CHEK1CDK2AP1DYRK1B
SCHEMBL17631604 0.90 DYRK1B (0.44) USP30UCHL1CHEK1CDK2AP1DYRK1B
SCHEMBL17632491 0.90 CHEK1 (0.42) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632487 0.90 USP30 (0.41) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632016 0.89 USP30 (0.40) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17631830 0.89 USP30 (0.40) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632415 0.88 CHEK1 (0.41) USP30UCHL1CHEK1CDK2AP1WNT1
SCHEMBL17632604 0.88 UCHL1 (0.43) USP30UCHL1CHEK1CDK2AP1WNT1

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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