SCHEMBL17632415

SCHEMBL17632415

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 2/20 0.41
▸ USP30 Q70CQ3 3/20 0.38
▸ CDK2AP1 O14519 1/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ UCHL1 P09936 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ P2RY14 Q15391 2/20 0.35
▸ F10 P00742 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CTSC P53634 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ CCR6 P51684 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
SCHEMBL17632016 0.89 USP30 (0.40) CHEK1USP30CDK2AP1UCHL1KDM1A
SCHEMBL17632047 0.88 USP30 (0.41) CHEK1USP30CDK2AP1UCHL1KDM1A
SCHEMBL17632487 0.88 USP30 (0.41) CHEK1USP30CDK2AP1KCNH2UCHL1
SCHEMBL17632491 0.88 CHEK1 (0.42) CHEK1USP30CDK2AP1UCHL1SLC6A4
SCHEMBL17631680 0.87 CHEK1 (0.40) CHEK1USP30UCHL1KDM1AWNT1
SCHEMBL17631830 0.87 USP30 (0.40) CHEK1USP30CDK2AP1UCHL1WNT1
SCHEMBL17632036 0.87 USP30 (0.50) CHEK1USP30KCNH2UCHL1
SCHEMBL17632503 0.86 USP30 (0.42) CHEK1USP30CDK2AP1KCNH2UCHL1
SCHEMBL17632604 0.86 UCHL1 (0.43) CHEK1USP30CDK2AP1UCHL1KDM1A
SCHEMBL17632442 0.85 CHEK1 (0.44) CHEK1USP30UCHL1SLC6A4GSK3B

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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