SCHEMBL6869813

SCHEMBL6869813

CN(C(=O)c1cc(N)n2nc(-c3ccoc3)nc2c1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.44
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 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
SCHEMBL6863389 0.86 NPC1 (0.47) ADORA2AMEN1MAPTHPGDALOX15
SCHEMBL6871451 0.81 ADORA2A (0.66) ADORA2A
SCHEMBL6869838 0.80 ADORA2A (0.43) ADORA2AMEN1MAPTHPGDALOX15
SCHEMBL6863742 0.80 ADORA2A (0.52) ADORA2AMEN1MAPTHPGDALOX15
SCHEMBL6863095 0.80 ADORA2A (0.67) ADORA2A
SCHEMBL6867154 0.80 ADORA2A (0.63) ADORA2AHPGD
SCHEMBL6869714 0.80 ADORA2A (0.43) ADORA2AMEN1MAPTHPGDALOX15
SCHEMBL6863074 0.79 ADORA2A (0.62) ADORA2AMEN1MAPTHPGDALOX15
SCHEMBL6869803 0.78 ADORA2A (0.41) ADORA2AMEN1KMT2APOLB
SCHEMBL6863099 0.78 ADORA2A (0.45) ADORA2A

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