SCHEMBL3351565

SCHEMBL3351565

Nc1nc(-c2ccc(C3CC3)o2)nc2sc(C(=O)O)cc12

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.64
ADORA1 P30542 19/20 0.64

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
SCHEMBL13389235 0.86 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL3300716 0.84 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL2301125 0.81 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL3304338 0.81 ADORA2A (0.53) ADORA2AADORA1
Hydrochloric Acid SCHEMBL3302469 0.78 ADORA2A (0.98) ADORA2AADORA1
SCHEMBL2305226 0.74 ADORA2A (1.00) ADORA2AADORA1
SCHEMBL13389703 0.73 ADORA2A (0.75) ADORA2AADORA1
SCHEMBL3303592 0.71 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL3351882 0.69 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL3348239 0.68 ADORA2A (0.70) ADORA2AADORA1

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
WO-2010045008-A1 AMIDES OF THIENO[2,3-d]PYRIMIDINE AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed