SCHEMBL13423656

SCHEMBL13423656

CC(F)(F)c1ccc(-c2nc(N)c3cc(Cc4ncccc4F)sc3n2)o1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.55
ADORA1 P30542 18/20 0.49

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
SCHEMBL13423647 0.90 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL13423658 0.90 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL13389512 0.87 ADORA2A (0.73) ADORA2AADORA1
SCHEMBL13423648 0.85 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL3302142 0.85 ADORA2A (0.68) ADORA2AADORA1
SCHEMBL13423799 0.81 ADORA2A (0.44) ADORA2AADORA1
SCHEMBL13423649 0.80 ADORA2A (0.43) ADORA2AADORA1
SCHEMBL13423657 0.79 ADORA2A (0.42) ADORA2AADORA1
SCHEMBL13391714 0.77 ADORA2A (0.55) ADORA2AADORA1
SCHEMBL13423650 0.76 ADORA2A (0.44) 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-2010045015-A1 HETEROARYL SUBSTITUTED THIENO[2,3-D]PYRIMIDINE AND THEIR USE AS ADENOSINE A2A RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 WO disclosed