SCHEMBL6858356

SCHEMBL6858356

CN1C=NCN1Sc1nc(C(=O)c2cccs2)c2sccc2n1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.55
ADORA1 P30542 13/20 0.55
ADORA2B P29275 6/20 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
SCHEMBL6858354 0.86 ADORA2A (0.55) ADORA2AADORA1ADORA2B
SCHEMBL6852935 0.78 ADORA2A (0.70) ADORA2AADORA1ADORA2B
SCHEMBL6852717 0.73 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL6858284 0.73 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL6859543 0.72 ADORA2A (0.64) ADORA2AADORA1ADORA2B
SCHEMBL2565551 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6859709 0.72 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6852809 0.71 ADORA2A (0.65) ADORA2AADORA1ADORA2B
SCHEMBL6214522 0.69 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL6852899 0.69 ADORA2A (1.00) ADORA2AADORA1ADORA2B

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
US-6787541-B1 MOVEMENT DISORDERS, PARKINSON'S DISEASE VERNALIS RESEARCH LIMITED (GB) 2004-09-07 US disclosed