SCHEMBL17631685

SCHEMBL17631685

N#CN(C(=O)[C@H]1CCNC1)c1ncc(-c2cccnc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1B Q9Y463 1/20 0.44
▸ USP30 Q70CQ3 5/20 0.41
▸ CHEK1 O14757 3/20 0.40
▸ UCHL1 P09936 2/20 0.39
▸ CDK2AP1 O14519 1/20 0.39
▸ MKNK1 Q9BUB5 3/20 0.39
▸ MKNK2 Q9HBH9 3/20 0.39
▸ HSD17B10 Q99714 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM1A O60341 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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
SCHEMBL17631604 1.00 DYRK1B (0.44) DYRK1BUSP30CHEK1UCHL1CDK2AP1
SCHEMBL17632036 0.91 USP30 (0.50) USP30CHEK1UCHL1MKNK1
SCHEMBL17632047 0.90 USP30 (0.41) DYRK1BUSP30CHEK1UCHL1CDK2AP1
SCHEMBL17632442 0.87 CHEK1 (0.44) USP30CHEK1UCHL1GSK3B
SCHEMBL17632150 0.87 USP30 (0.43) USP30CHEK1UCHL1CDK2AP1
SCHEMBL17631430 0.87 USP30 (0.38) DYRK1BUSP30CHEK1UCHL1DYRK1A
SCHEMBL17632265 0.86 USP30 (0.42) USP30CHEK1UCHL1
SCHEMBL17632503 0.86 USP30 (0.42) USP30CHEK1UCHL1CDK2AP1DYRK1A
SCHEMBL17631780 0.86 USP30 (0.39) USP30UCHL1HSD17B10ALDH1A1
SCHEMBL17632487 0.86 USP30 (0.41) USP30CHEK1UCHL1CDK2AP1KDM1A

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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