SCHEMBL17631958

SCHEMBL17631958

N#CN(C(=O)C1CCNC1)c1ccc(-c2cccnc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 3/20 0.45
▸ MKNK2 Q9HBH9 3/20 0.45
▸ DYRK1B Q9Y463 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.40
▸ CYP11B2 P19099 4/20 0.39
▸ CYP11B1 P15538 3/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ CHEK1 O14757 2/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ ATR Q13535 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37

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
SCHEMBL17631943 0.90 USP30 (0.49) USP30CHEK1
SCHEMBL17632326 0.90 USP30 (0.49) USP30CHEK1
SCHEMBL17631859 0.89 USP30 (0.39) MKNK1MKNK2DYRK1BUSP30ABL1
SCHEMBL17631696 0.86 USP30 (0.41) USP30ABL1KDM1AKCNH2
SCHEMBL17632076 0.85 USP30 (0.39) USP30DYRK1AGSK3BABL1KCNH2
SCHEMBL17632146 0.85 USP30 (0.41) USP30KDM1AKCNH2
SCHEMBL17632423 0.82 CDK9 (0.40) USP30ABL1CYP1A2CYP3A4HDAC1
SCHEMBL17631604 0.82 DYRK1B (0.44) MKNK1MKNK2DYRK1BUSP30DYRK1A
SCHEMBL17631685 0.82 DYRK1B (0.44) MKNK1MKNK2DYRK1BUSP30DYRK1A
SCHEMBL17631951 0.80 SLC6A2 (0.38) CHEK1KCNH2

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