SCHEMBL17631874

SCHEMBL17631874

N#CN(C(=O)[C@H]1CCNC1)c1cccc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.51
▸ CDK9 P50750 1/20 0.37
▸ ADORA1 P30542 5/20 0.35
▸ ADORA3 P0DMS8 3/20 0.35
▸ ADORA2A P29274 3/20 0.35
▸ DYRK1B Q9Y463 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ F10 P00742 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
SCHEMBL17631936 0.81 USP30 (0.37) USP30CDK9
SCHEMBL17632195 0.81 CPB1 (0.49) USP30
SCHEMBL17632600 0.80 CDK9 (0.39) CDK9
SCHEMBL17632095 0.80 USP30 (0.41) USP30CDK9DYRK1BF10
SCHEMBL17631943 0.80 USP30 (0.49) USP30CDK9F10
SCHEMBL17631671 0.80 USP30 (0.41) USP30CDK9DYRK1BF10
SCHEMBL17632326 0.80 USP30 (0.49) USP30CDK9F10
SCHEMBL17632437 0.79 USP30 (0.48) USP30
SCHEMBL17632381 0.79 USP30 (0.48) USP30
SCHEMBL17632335 0.79 USP30 (0.41) USP30CDK9F10

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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