SCHEMBL17631924

SCHEMBL17631924

CCNC(=O)c1cccc(-c2cnc(N(C#N)C(=O)[C@H]3CCNC3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.42
▸ CDK8 P49336 1/20 0.41
▸ UCHL1 P09936 1/20 0.39
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ OTUD7B Q6GQQ9 2/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ SIRT1 Q96EB6 1/20 0.34
▸ SIRT3 Q9NTG7 1/20 0.34
▸ IP6K1 Q92551 1/20 0.34
▸ KIFC1 Q9BW19 1/20 0.34

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
SCHEMBL17631988 0.91 OTUD7B (0.42) USP30CDK8UCHL1OTUD7BCHEK1
SCHEMBL17631742 0.86 USP30 (0.44) USP30UCHL1CHEK1
SCHEMBL17632483 0.86 USP30 (0.42) USP30UCHL1OTUD7BCHEK1
SCHEMBL17632036 0.85 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17632292 0.85 USP30 (0.36) USP30UCHL1CHEK1
SCHEMBL17632442 0.84 CHEK1 (0.44) USP30UCHL1PDE4DCHEK1
SCHEMBL17632150 0.84 USP30 (0.43) USP30UCHL1CHEK1
SCHEMBL17631623 0.83 CHEK1 (0.41) USP30UCHL1OTUD7BCHEK1
SCHEMBL17632265 0.83 USP30 (0.42) USP30UCHL1CHEK1
SCHEMBL17632503 0.83 USP30 (0.42) USP30UCHL1CHEK1

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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