SCHEMBL17632491

SCHEMBL17632491

N#CN(C(=O)C1CCNC1)c1ncc(-c2ccc(Cl)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.42
▸ USP30 Q70CQ3 4/20 0.41
▸ UCHL1 P09936 1/20 0.39
▸ MCHR1 Q99705 1/20 0.37
▸ CDK2AP1 O14519 1/20 0.36
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ ABL1 P00519 1/20 0.33

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
SCHEMBL17632487 0.92 USP30 (0.41) CHEK1USP30UCHL1CDK2AP1WNT1
SCHEMBL17632150 0.91 USP30 (0.43) CHEK1USP30UCHL1CDK2AP1SLC6A2
SCHEMBL17632016 0.91 USP30 (0.40) CHEK1USP30UCHL1CDK2AP1WNT1
SCHEMBL17631830 0.91 USP30 (0.40) CHEK1USP30UCHL1CDK2AP1WNT1
SCHEMBL17632036 0.91 USP30 (0.50) CHEK1USP30UCHL1
SCHEMBL17632604 0.90 UCHL1 (0.43) CHEK1USP30UCHL1CDK2AP1WNT1
SCHEMBL17632047 0.90 USP30 (0.41) CHEK1USP30UCHL1CDK2AP1WNT1
SCHEMBL17631680 0.89 CHEK1 (0.40) CHEK1USP30UCHL1WNT1GSK3B
SCHEMBL17632415 0.88 CHEK1 (0.41) CHEK1USP30UCHL1MCHR1CDK2AP1
SCHEMBL17632186 0.87 USP30 (0.40) CHEK1USP30UCHL1CDK2AP1WNT1

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 2 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
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