SCHEMBL6869252

SCHEMBL6869252

COc1cc(CNC(=O)c2cc(N)n3nc(-c4ccc(Br)o4)nc3c2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.57
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6868316 0.90 ADORA2A (0.55) ADORA2ALMNAMAPTHPGDSMN1; SMN2
SCHEMBL6873334 0.88 ADORA2A (0.58) ADORA2AHPGD
SCHEMBL6870770 0.86 ALDH1A1 (0.41) ADORA2ALMNAMAPTHPGDSMN1; SMN2
SCHEMBL6869607 0.85 ADORA2A (0.52) ADORA2ALMNAMAPT
SCHEMBL6871493 0.85 ADORA2A (0.66) ADORA2AHPGDSMN1; SMN2
SCHEMBL6863192 0.82 ADORA2A (0.71) ADORA2A
SCHEMBL6867257 0.82 ADORA2A (0.55) ADORA2AMAPTSMN1; SMN2HSD17B10
SCHEMBL6869820 0.81 KDM4E (0.44) LMNAMAPTHPGDSMN1; SMN2HSD17B10
SCHEMBL6870936 0.80 ADORA2A (0.64) ADORA2ALMNA
SCHEMBL6870679 0.79 ADORA2A (0.59) ADORA2ALMNA

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