SCHEMBL17631696

SCHEMBL17631696

Cc1cccc(-c2ccc(N(C#N)C(=O)C3CCNC3)nc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.41
▸ GRIN2B Q13224 6/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CHRM3 P20309 1/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ SYK P43405 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR8 Q9NR97 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34

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
SCHEMBL17632146 0.90 USP30 (0.41) USP30GRIN2BKDM1ACDK9KCNH2
SCHEMBL17632326 0.89 USP30 (0.49) USP30GRIN2BCDK9
SCHEMBL17631943 0.89 USP30 (0.49) USP30GRIN2BCDK9
SCHEMBL17631958 0.86 MKNK1 (0.45) USP30KDM1AKCNH2ABL1
SCHEMBL17632787 0.85 MEN1 (0.40) USP30KDM1ACDK9SYKKCNH2
SCHEMBL17632423 0.85 CDK9 (0.40) USP30GRIN2BCDK9ABL1
SCHEMBL17631859 0.83 USP30 (0.39) USP30KDM1AABL1TLR9TLR8
SCHEMBL17632076 0.82 USP30 (0.39) USP30CDK9SYKKCNH2AURKB
SCHEMBL17631951 0.79 SLC6A2 (0.38) KCNH2
SCHEMBL17632600 0.76 CDK9 (0.39) 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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