SCHEMBL17631968

SCHEMBL17631968

Cc1noc(C)c1-c1ccc2nc(N(C#N)C(=O)[C@H]3CCNC3)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.36
▸ CYP1A2 P05177 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CLK4 Q9HAZ1 3/20 0.31
▸ LMNA P02545 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ BRD4 O60885 5/20 0.31
▸ BRD2 P25440 3/20 0.31
▸ BRD3 Q15059 2/20 0.31
▸ CREBBP Q92793 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
SCHEMBL17632023 0.84 USP30 (0.42) USP30CYP1A2ALDH1A1CYP2C19CLK4
SCHEMBL17632567 0.84 BRD4 (0.47) USP30CYP1A2ALDH1A1CYP2C19CLK4
SCHEMBL17631794 0.84 USP30 (0.35) USP30CYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL17632188 0.84 CYP1A2 (0.38) USP30CYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL17632015 0.77 USP30 (0.38) USP30CYP1A2ALDH1A1CYP2C19CLK4
SCHEMBL17632490 0.77 MAPT (0.43) ALDH1A1LMNA
SCHEMBL17632621 0.76 ALDH1A1 (0.47) USP30CYP1A2ALDH1A1CYP2C19CYP3A4
SCHEMBL17631887 0.73 USP30 (0.44) USP30BRD4
SCHEMBL17632164 0.73 IKBKB (0.33) USP30ALDH1A1
SCHEMBL17632035 0.73 ABL1 (0.45) —

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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