SCHEMBL17632261

SCHEMBL17632261

N#CN(C(=O)C1CCNC1)c1cnc(-c2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 4/20 0.41
▸ CDK9 P50750 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ USP30 Q70CQ3 4/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ DHODH Q02127 1/20 0.34
▸ CHEK1 O14757 2/20 0.34
▸ F10 P00742 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
SCHEMBL17631936 0.87 USP30 (0.37) HPGDSCDK9KCNH2SLC6A2SLC6A4
SCHEMBL17632154 0.84 RAB9A (0.38) HPGDSCDK9CHEK1
SCHEMBL17632245 0.84 RAB9A (0.38) HPGDSCDK9CHEK1
SCHEMBL17632036 0.81 USP30 (0.50) KCNH2USP30MKNK1CHEK1
SCHEMBL17631943 0.81 USP30 (0.49) HPGDSCDK9USP30CHEK1F10
SCHEMBL17632326 0.81 USP30 (0.49) HPGDSCDK9USP30CHEK1F10
SCHEMBL17632081 0.79 KCNH2 (0.38) CDK9KCNH2SLC6A3USP30CHEK1
SCHEMBL17631671 0.79 USP30 (0.41) CDK9KCNH2USP30F10
SCHEMBL17632095 0.79 USP30 (0.41) CDK9KCNH2USP30F10
SCHEMBL17631874 0.79 USP30 (0.51) CDK9USP30F10

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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