SCHEMBL17632503

SCHEMBL17632503

N#CN(C(=O)C1CCNC1)c1ncc(-c2cccc(F)c2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.42
▸ CHEK1 O14757 6/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ UCHL1 P09936 2/20 0.40
▸ CDK2AP1 O14519 1/20 0.38
▸ MELK Q14680 3/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ GAK O14976 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ ULK1 O75385 1/20 0.38
▸ RPS6KA4 O75676 1/20 0.38
▸ STK10 O94804 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ FES P07332 1/20 0.38

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 0.91 USP30 (0.40) USP30CHEK1UCHL1CDK2AP1ABL1
SCHEMBL17632036 0.91 USP30 (0.50) USP30CHEK1KCNH2UCHL1
SCHEMBL17632150 0.89 USP30 (0.43) USP30CHEK1UCHL1CDK2AP1
SCHEMBL17632442 0.89 CHEK1 (0.44) USP30CHEK1UCHL1
SCHEMBL17632265 0.89 USP30 (0.42) USP30CHEK1KCNH2UCHL1AAK1
SCHEMBL17631539 0.88 USP30 (0.42) USP30CHEK1UCHL1DYRK1A
SCHEMBL17632483 0.88 USP30 (0.42) USP30CHEK1KCNH2UCHL1FYN
SCHEMBL17631680 0.87 CHEK1 (0.40) USP30CHEK1UCHL1DYRK1AAKT1
SCHEMBL17632415 0.86 CHEK1 (0.41) USP30CHEK1KCNH2UCHL1CDK2AP1
SCHEMBL17631604 0.86 DYRK1B (0.44) USP30CHEK1UCHL1CDK2AP1DYRK1A

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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