SCHEMBL17632174

SCHEMBL17632174

CC(=O)Nc1ccccc1-c1cnc(N(C#N)C(=O)C2CCNC2)s1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 3/20 0.36
▸ LIMK1 P53667 1/20 0.36
▸ IKBKB O14920 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ UCHL1 P09936 1/20 0.35
▸ CHEK1 O14757 2/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CHRM3 P20309 3/20 0.32
▸ PARP14 Q460N5 2/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL17632525 0.86 CHEK1 (0.41) USP30LIMK1CDK9UCHL1CHEK1
SCHEMBL17632937 0.84 CHEK1 (0.37) USP30CDK9UCHL1CHEK1CHRM3
SCHEMBL17631847 0.84 USP30 (0.37) USP30IKBKBCDK9UCHL1CHEK1
SCHEMBL17631806 0.84 KDM1A (0.40) USP30UCHL1CHEK1
SCHEMBL17632036 0.82 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17631780 0.79 USP30 (0.39) USP30CDK9UCHL1ALDH1A1
SCHEMBL17631685 0.78 DYRK1B (0.44) USP30UCHL1CHEK1ALDH1A1
SCHEMBL17631604 0.78 DYRK1B (0.44) USP30UCHL1CHEK1ALDH1A1
SCHEMBL17631562 0.77 CDK9 (0.34) USP30CDK9UCHL1
SCHEMBL17632487 0.77 USP30 (0.41) 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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