SCHEMBL4694922

SCHEMBL4694922

O=C(O)N1Cc2[nH]ncc2C(O)C1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.33
PRKACA P17612 1/20 0.33
KDR P35968 1/20 0.33
CDK8 P49336 1/20 0.33
CDK9 P50750 1/20 0.33
ROCK1 Q13464 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PSEN1 P49768 5/20 0.32
PSEN2 P49810 5/20 0.32
APH1B Q8WW43 5/20 0.32
NCSTN Q92542 5/20 0.32
APH1A Q96BI3 5/20 0.32
PSENEN Q9NZ42 5/20 0.32
PDK2 Q15119 2/20 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
SCHEMBL2389480 0.71 NAMPT (0.41) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL5260829 0.71 PSEN1 (0.33) PDGFRAPRKACAKDRCDK8CDK9
SCHEMBL17317692 0.68 NAMPT (0.47)
SCHEMBL5258341 0.68 PLK1 (0.31)
SCHEMBL20557798 0.67 CCNA2 (0.36)
SCHEMBL8816564 0.66 GRIN1 (0.44)
SCHEMBL5255225 0.65 DPP8 (0.35)
SCHEMBL15156435 0.65 NAMPT (0.47) PRKACAKDRCDK8CDK9ROCK1
SCHEMBL4751291 0.65 HHAT (0.38)
SCHEMBL4692428 0.64 KEAP1 (0.44) PDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569935-B1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS NOVEXEL (FR) 2008-08-20 EP disclosed
EP-1798231-A2 Intermediate products for the preparation of antibacterial compounds NOVEXEL (FR) 2007-06-20 EP disclosed
EP-1399444-B1 NOVEL HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING SAME AND USE THEREOF AS MEDICINES, IN PARTICULAR AS ANTI-BACTERIAL AGENTS NOVEXEL (FR) 2007-04-11 EP disclosed
EP-1569935-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-07 EP disclosed
WO-2004052891-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREOF AND USE OF SAME AS MEDICAMENTS, SUCH AS ANTI-BACTERIAL MEDICAMENTS AND BETA-LACTAMASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-06-24 WO disclosed