SCHEMBL6869677

SCHEMBL6869677

COc1ccc(-c2nc3cc(C(=O)NC4CCC4)cc(N)n3n2)s1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABL1 P00519 1/20 0.40
LMNA P02545 1/20 0.39
HPGDS O60760 2/20 0.38
THRB P10828 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
CXCR6 O00574 1/20 0.37

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
SCHEMBL6873063 0.97 MEN1 (0.44) ADORA2AMEN1KMT2ALMNAHPGDS
SCHEMBL6869619 0.97 MEN1 (0.44) ADORA2AMEN1KMT2ALMNAHPGDS
SCHEMBL6872018 0.96 ADORA2A (0.41) ADORA2AMEN1KMT2ALMNAHPGDS
SCHEMBL6870443 0.85 LMNA (0.45) ADORA2AMEN1KMT2AABL1LMNA
SCHEMBL6871503 0.83 ADORA2A (0.43) ADORA2A
SCHEMBL6873034 0.83 ADORA2A (0.39) ADORA2ALMNAPOLBTP53
SCHEMBL6869680 0.82 ADORA2A (0.39) ADORA2A
SCHEMBL6867527 0.81 ADORA2A (0.38) ADORA2AKMT2ALMNA
SCHEMBL6869624 0.81 ADORA2A (0.41) ADORA2AMEN1KMT2ALMNAPOLB
SCHEMBL6868000 0.81 ADORA2A (0.65) ADORA2ATP53

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 disclosed