SCHEMBL6863200

SCHEMBL6863200

CCCCN(C)C(=O)Oc1cc(N)n2nc(-c3nccs3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.38
HSF1 Q00613 1/20 0.35
HPGD P15428 6/20 0.33
ACHE P22303 2/20 0.33
ADORA2B P29275 1/20 0.32
ADORA1 P30542 1/20 0.32
LTA4H P09960 1/20 0.31

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
SCHEMBL6874251 0.94 ADORA2A (0.43) ADORA2AHSF1HPGDACHEADORA2B
SCHEMBL6869532 0.91 ADORA2A (0.36) ADORA2AHSF1ACHEADORA2BADORA1
SCHEMBL6873153 0.88 ADORA2A (0.38) ADORA2AHSF1HPGDADORA2BADORA1
SCHEMBL6869933 0.86 ADORA2A (0.41) ADORA2AHSF1ADORA2BADORA1
SCHEMBL6870655 0.85 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL6871398 0.85 ADORA2A (0.53) ADORA2AHSF1HPGDADORA2BADORA1
SCHEMBL6867675 0.83 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL6870768 0.83 BCHE (0.36) HSF1
SCHEMBL6867837 0.82 ADORA2A (0.52) ADORA2AHSF1HPGDADORA2BADORA1
SCHEMBL6871963 0.81 ADORA2A (0.35) ADORA2AADORA2BADORA1

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 1 patent. 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 claimed