SCHEMBL17632487

SCHEMBL17632487

N#Cc1ccc(-c2cnc(N(C#N)C(=O)[C@H]3CCNC3)s2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.41
▸ CHEK1 O14757 5/20 0.39
▸ CDK2AP1 O14519 1/20 0.39
▸ UCHL1 P09936 2/20 0.39
▸ CTSC P53634 1/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ KDM1A O60341 5/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ RCOR1 Q9UKL0 1/20 0.35

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
SCHEMBL17632604 0.94 UCHL1 (0.43) USP30CHEK1CDK2AP1UCHL1CTSC
SCHEMBL17632491 0.92 CHEK1 (0.42) USP30CHEK1CDK2AP1UCHL1WNT1
SCHEMBL17632442 0.91 CHEK1 (0.44) USP30CHEK1UCHL1GSK3B
SCHEMBL17632016 0.91 USP30 (0.40) USP30CHEK1CDK2AP1UCHL1WNT1
SCHEMBL17631830 0.91 USP30 (0.40) USP30CHEK1CDK2AP1UCHL1WNT1
SCHEMBL17632036 0.91 USP30 (0.50) USP30CHEK1UCHL1KCNH2
SCHEMBL17632047 0.90 USP30 (0.41) USP30CHEK1CDK2AP1UCHL1WNT1
SCHEMBL17632415 0.88 CHEK1 (0.41) USP30CHEK1CDK2AP1UCHL1CTSC
SCHEMBL17631539 0.87 USP30 (0.42) USP30CHEK1UCHL1WNT1GSK3B
SCHEMBL17632186 0.87 USP30 (0.40) USP30CHEK1CDK2AP1UCHL1WNT1

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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