SCHEMBL17631680

SCHEMBL17631680

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2ccc(F)c(F)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.40
▸ USP30 Q70CQ3 3/20 0.37
▸ UCHL1 P09936 1/20 0.37
▸ KDM1A O60341 1/20 0.35
▸ BCL9 O00512 6/20 0.35
▸ CTNNB1 P35222 6/20 0.35
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ CTSC P53634 4/20 0.34
▸ CTSK P43235 2/20 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
SCHEMBL17631994 0.92 KDM1A (0.39) USP30KDM1ACTSC
SCHEMBL17632016 0.90 USP30 (0.40) CHEK1USP30UCHL1KDM1AWNT1
SCHEMBL17632782 0.90 CHEK1 (0.41) CHEK1USP30
SCHEMBL17632491 0.89 CHEK1 (0.42) CHEK1USP30UCHL1WNT1GSK3B
SCHEMBL17632087 0.88 WNT1 (0.36) CHEK1USP30UCHL1KDM1AWNT1
SCHEMBL17632503 0.87 USP30 (0.42) CHEK1USP30UCHL1DYRK1AAKT1
SCHEMBL17632415 0.87 CHEK1 (0.41) CHEK1USP30UCHL1KDM1AWNT1
SCHEMBL17632487 0.87 USP30 (0.41) CHEK1USP30UCHL1KDM1AWNT1
SCHEMBL17632150 0.86 USP30 (0.43) CHEK1USP30UCHL1
SCHEMBL17631830 0.86 USP30 (0.40) CHEK1USP30UCHL1WNT1GSK3B

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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