SCHEMBL17632600

SCHEMBL17632600

N#CN(C(=O)C1CCNC1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 1/20 0.39
▸ LMNA P02545 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ OPRD1 P41143 2/20 0.36
▸ TRPM8 Q7Z2W7 4/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPKAPK2 P49137 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33

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
SCHEMBL17632076 0.87 USP30 (0.39) CDK9MAPKAPK2
SCHEMBL17632095 0.85 USP30 (0.41) CDK9
SCHEMBL17631671 0.85 USP30 (0.41) CDK9
SCHEMBL17631943 0.82 USP30 (0.49) CDK9
SCHEMBL17632326 0.82 USP30 (0.49) CDK9
SCHEMBL17632116 0.82 CDK9 (0.38) CDK9
SCHEMBL17631951 0.81 SLC6A2 (0.38) —
SCHEMBL17632787 0.81 MEN1 (0.40) CDK9
SCHEMBL17631866 0.80 CDK9 (0.41) CDK9SMN1; SMN2ALDH1A1TRPM8CYP1A2
SCHEMBL17631915 0.80 CDK9 (0.35) CDK9

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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