SCHEMBL17632111

SCHEMBL17632111

Cc1oncc1-c1cccc(-c2ccnc(N(C#N)C(=O)[C@H]3CCNC3)c2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 2/20 0.35
▸ CTSK P43235 1/20 0.33
▸ CTSC P53634 1/20 0.33
▸ CDK9 P50750 2/20 0.33
▸ DYRK1B Q9Y463 1/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ USP30 Q70CQ3 2/20 0.31
▸ FYN P06241 1/20 0.31
▸ TLR9 Q9NR96 2/20 0.31
▸ TLR8 Q9NR97 2/20 0.31
▸ TLR7 Q9NYK1 2/20 0.31
▸ ADRA1A P35348 1/20 0.30

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
SCHEMBL17631858 0.90 CDK9 (0.35) UCHL1CTSKCTSCCDK9TLR9
SCHEMBL17632095 0.82 USP30 (0.41) CDK9DYRK1BUSP30
SCHEMBL17631671 0.82 USP30 (0.41) CDK9DYRK1BUSP30
SCHEMBL17632283 0.77 MKNK1 (0.38) CDK9DYRK1BTLR9TLR8TLR7
SCHEMBL17631644 0.77 CDK9 (0.40) CDK9USP30
SCHEMBL17631887 0.75 USP30 (0.44) UCHL1CTSKCTSCBRD4USP30
SCHEMBL17631696 0.74 USP30 (0.41) CDK9USP30TLR9TLR8TLR7
SCHEMBL17632600 0.73 CDK9 (0.39) CDK9ADRA1A
SCHEMBL17631866 0.72 CDK9 (0.41) CDK9
SCHEMBL17631915 0.72 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 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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