SCHEMBL17631988

SCHEMBL17631988

CNC(=O)c1cccc(-c2cnc(N(C#N)C(=O)[C@H]3CCNC3)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 2/20 0.42
▸ USP30 Q70CQ3 8/20 0.42
▸ UCHL1 P09936 2/20 0.40
▸ CDK8 P49336 1/20 0.38
▸ FGFR1 P11362 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ FYN P06241 2/20 0.37
▸ PIP5K1C O60331 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ CYP17A1 P05093 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ TNIK Q9UKE5 1/20 0.36
▸ CHEK1 O14757 1/20 0.35

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
SCHEMBL17631623 0.93 CHEK1 (0.41) OTUD7BUSP30UCHL1WNT1GSK3B
SCHEMBL17631924 0.91 USP30 (0.42) OTUD7BUSP30UCHL1CDK8CHEK1
SCHEMBL17631742 0.88 USP30 (0.44) USP30UCHL1FYNCYP3A4CHEK1
SCHEMBL17632483 0.88 USP30 (0.42) OTUD7BUSP30UCHL1FYNCHEK1
SCHEMBL17632036 0.88 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17632150 0.86 USP30 (0.43) USP30UCHL1CHEK1
SCHEMBL17632442 0.86 CHEK1 (0.44) USP30UCHL1GSK3BCHEK1
SCHEMBL17631758 0.86 WNT1 (0.37) USP30UCHL1PIK3CAWNT1GSK3B
SCHEMBL17632087 0.85 WNT1 (0.36) USP30UCHL1PIK3CAWNT1GSK3B
SCHEMBL17632503 0.85 USP30 (0.42) USP30UCHL1FYNDYRK1ATNIK

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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