SCHEMBL17631806

SCHEMBL17631806

CC(=O)Nc1ccc(-c2cnc(N(C#N)C(=O)C3CCNC3)s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.40
▸ USP30 Q70CQ3 4/20 0.39
▸ KIT P10721 1/20 0.38
▸ UCHL1 P09936 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ PRKCZ Q05513 1/20 0.37
▸ PRKD2 Q9BZL6 1/20 0.37
▸ CHEK1 O14757 2/20 0.36
▸ DGAT1 O75907 3/20 0.35
▸ FYN P06241 1/20 0.35
▸ AURKA O14965 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 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
SCHEMBL17631715 0.87 CHEK1 (0.42) USP30KITUCHL1WNT1GSK3B
SCHEMBL17632491 0.86 CHEK1 (0.42) USP30UCHL1WNT1GSK3BDYRK1A
SCHEMBL17632487 0.86 USP30 (0.41) KDM1AUSP30UCHL1WNT1GSK3B
SCHEMBL17631830 0.85 USP30 (0.40) USP30UCHL1WNT1GSK3BDYRK1A
SCHEMBL17632016 0.85 USP30 (0.40) KDM1AUSP30UCHL1WNT1GSK3B
SCHEMBL17632036 0.85 USP30 (0.50) USP30UCHL1CHEK1
SCHEMBL17631623 0.85 CHEK1 (0.41) KDM1AUSP30UCHL1WNT1GSK3B
SCHEMBL17632604 0.85 UCHL1 (0.43) KDM1AUSP30UCHL1WNT1GSK3B
SCHEMBL17632047 0.84 USP30 (0.41) KDM1AUSP30UCHL1WNT1GSK3B
SCHEMBL17632174 0.84 USP30 (0.36) USP30UCHL1CHEK1

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
Send feedback