SCHEMBL17631771

SCHEMBL17631771

Cc1noc(C)c1-c1ccc2nc(N(C#N)C(=O)[C@H]3CCN[C@H]3C)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 8/20 0.46
▸ USP30 Q70CQ3 2/20 0.43
▸ LIPG Q9Y5X9 1/20 0.38
▸ CREBBP Q92793 2/20 0.38
▸ BRD2 P25440 2/20 0.35
▸ UCHL1 P09936 1/20 0.34
▸ PCSK9 Q8NBP7 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CLK4 Q9HAZ1 2/20 0.34
▸ AAK1 Q2M2I8 1/20 0.34
▸ BRD3 Q15059 1/20 0.34
▸ BRDT Q58F21 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HIF1A Q16665 1/20 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
SCHEMBL17632567 0.85 BRD4 (0.47) BRD4USP30LIPGCREBBPBRD2
SCHEMBL17632023 0.78 USP30 (0.42) BRD4USP30CREBBPBRD2UCHL1
SCHEMBL17644090 0.74 BRD4 (0.46) BRD4USP30LIPGUCHL1ABL1
SCHEMBL17632015 0.72 USP30 (0.38) BRD4USP30CREBBPBRD2UCHL1
SCHEMBL17632035 0.71 ABL1 (0.45) ABL1
SCHEMBL17632188 0.71 CYP1A2 (0.38) BRD4USP30ABL1ALDH1A1CYP1A2
SCHEMBL17631887 0.71 USP30 (0.44) BRD4USP30UCHL1ABL1
SCHEMBL17631968 0.69 USP30 (0.36) BRD4USP30CREBBPBRD2ALDH1A1
SCHEMBL17631794 0.69 USP30 (0.35) BRD4USP30BRD2ALDH1A1CYP1A2
SCHEMBL17632490 0.68 MAPT (0.43) ALDH1A1LMNA

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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