SCHEMBL3859331

SCHEMBL3859331

OCc1cc2c(cn1)OCC2.OCc1cc2ccoc2cn1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.32
PRKCI P41743 1/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
MAP3K14 Q99558 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL30718791 0.84 PRKCI (0.38) DYRK1APRKCIMAP3K14
SCHEMBL2939393 0.84 PRKCI (0.38) DYRK1APRKCIMAP3K14
SCHEMBL104140 0.82 DYRK1A (0.37) DYRK1AHTR3EHTR3BCHRNA7HTR3A
SCHEMBL4429996 0.78 DYRK1A (0.32) DYRK1APRKCIHTR3EHTR3BCHRNA7
SCHEMBL434678 0.75 CTNNB1 (0.40) DYRK1APRKCIKCNH2
SCHEMBL18527086 0.73 DYRK1A (0.39) DYRK1APRKCI
SCHEMBL10555583 0.70 ALDH1A1 (0.36) DYRK1A
SCHEMBL16682691 0.69 DYRK1A (0.35) DYRK1APRKCIMAP3K14
Hydrochloric Acid SCHEMBL18187528 0.68 DYRK1A (0.34) DYRK1APRKCI
SCHEMBL103867 0.66 NOTUM (0.44) CHRNA7KCNH2

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-2137195-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS Glaxo Group Limited (GB) 2009-12-30 EP disclosed
EP-2044077-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES Glaxo Group Limited (GB) 2009-04-08 EP disclosed
WO-2008128953-A1 TRICYCLIC NITROGEN CONTAINING HETEROCYCLES AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed
WO-2008009700-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed