SCHEMBL17631671

SCHEMBL17631671

N#CN(C(=O)C1CCNC1)c1cc(-c2ccccc2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 8/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ GSK3B P49841 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ KCNH2 Q12809 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ FAAH O00519 5/20 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
SCHEMBL17632095 1.00 USP30 (0.41) USP30HDAC1HDAC6GSK3BCDK9
SCHEMBL17632283 0.88 MKNK1 (0.38) CDK9DYRK1B
SCHEMBL17631644 0.85 CDK9 (0.40) USP30GSK3BCDK9
SCHEMBL17632600 0.85 CDK9 (0.39) CDK9
SCHEMBL17632326 0.84 USP30 (0.49) USP30CDK9F10FAAH
SCHEMBL17631943 0.84 USP30 (0.49) USP30CDK9F10FAAH
SCHEMBL17632335 0.83 USP30 (0.41) USP30GSK3BCDK9F10FAAH
SCHEMBL17632111 0.82 UCHL1 (0.35) USP30CDK9DYRK1B
SCHEMBL17631866 0.80 CDK9 (0.41) GSK3BCDK9
SCHEMBL17631915 0.80 CDK9 (0.35) CDK9

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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