SCHEMBL6870552

SCHEMBL6870552

C=CCN(C)C(=O)c1cc(N)n2nc(-c3ccccn3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.57
F12 P00748 12/20 0.39
F2 P00734 10/20 0.39
PLAU P00749 2/20 0.39
PLG P00747 1/20 0.39
DYRK1B Q9Y463 1/20 0.38

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
SCHEMBL6868956 0.90 ADORA2A (0.59) ADORA2AF12F2PLAUPLG
SCHEMBL6870369 0.88 ADORA2A (0.61) ADORA2AF12F2PLAUPLG
SCHEMBL6869917 0.87 ADORA2A (0.58) ADORA2AF12F2
SCHEMBL6871898 0.86 ADORA2A (0.62) ADORA2AF12F2PLAUPLG
SCHEMBL6863344 0.85 ADORA2A (0.63) ADORA2AF12F2PLAUPLG
SCHEMBL6872326 0.84 ADORA2A (0.57) ADORA2AF12F2PLAUPLG
SCHEMBL6863310 0.83 ADORA2A (0.64) ADORA2AF12F2PLAUPLG
SCHEMBL6869915 0.83 ADORA2A (0.57) ADORA2AF12F2
SCHEMBL6870136 0.82 ADORA2A (0.61) ADORA2AF12F2PLAUPLG
SCHEMBL6867223 0.81 ADORA2A (0.60) ADORA2AF12F2PLAUPLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 EP disclosed
EP-1385848-A2 PHTALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA Pharma AG (DE) 2004-02-04 EP disclosed
WO-2002085906-A2 PHTHALAZINONES DERIVATIVES USEFUL AS PDE4/7 INHIBITORS ALTANA PHARMA AG (DE) 2002-10-31 WO disclosed