SCHEMBL6869933

SCHEMBL6869933

CCN(CC)C(=O)Oc1cc(N)n2nc(-c3nccs3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.41
PDE11A Q9HCR9 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 2/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.32
HSF1 Q00613 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32

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
SCHEMBL6873153 0.92 ADORA2A (0.38) ADORA2APDE11AADORA2BADORA1HSF1
SCHEMBL6869532 0.91 ADORA2A (0.36) ADORA2APDE11AADORA2BADORA1HSF1
SCHEMBL6869236 0.90 USP2 (0.38) ADORA2APDE11AMEN1KMT2ALMNA
SCHEMBL6871963 0.89 ADORA2A (0.35) ADORA2APDE11AADORA2BADORA1ABL1
SCHEMBL6874251 0.87 ADORA2A (0.43) ADORA2APDE11AADORA2BADORA1HSF1
SCHEMBL6863200 0.86 ADORA2A (0.38) ADORA2AADORA2BADORA1HSF1
SCHEMBL6870549 0.86 ADORA2A (0.36) ADORA2APDE11AMEN1KMT2ALMNA
SCHEMBL6867675 0.85 ADORA2A (0.33) ADORA2AADORA2BADORA1
SCHEMBL6863403 0.84 ADORA2A (0.36) ADORA2AKMT2AADORA2BADORA1HSF1
SCHEMBL6870655 0.84 ADORA2A (0.33) 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