SCHEMBL17632483

SCHEMBL17632483

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2cccc(C(N)=O)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.42
▸ CHEK1 O14757 9/20 0.41
▸ OTUD7B Q6GQQ9 1/20 0.40
▸ UCHL1 P09936 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ KCNH2 Q12809 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36
▸ KDM1A O60341 1/20 0.36

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 0.90 USP30 (0.50) USP30CHEK1UCHL1MKNK1KCNH2
SCHEMBL17632265 0.90 USP30 (0.42) USP30CHEK1UCHL1KCNH2AAK1
SCHEMBL17631742 0.89 USP30 (0.44) USP30CHEK1UCHL1FYN
SCHEMBL17632150 0.89 USP30 (0.43) USP30CHEK1UCHL1
SCHEMBL17632442 0.89 CHEK1 (0.44) USP30CHEK1UCHL1
SCHEMBL17631988 0.88 OTUD7B (0.42) USP30CHEK1OTUD7BUCHL1FYN
SCHEMBL17632503 0.88 USP30 (0.42) USP30CHEK1UCHL1FYNKCNH2
SCHEMBL17631539 0.87 USP30 (0.42) USP30CHEK1UCHL1
SCHEMBL17631830 0.86 USP30 (0.40) USP30CHEK1UCHL1
SCHEMBL17631924 0.86 USP30 (0.42) USP30CHEK1OTUD7BUCHL1

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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