SCHEMBL3351568

SCHEMBL3351568

N#Cc1cccc(-c2nc(N)c3cc(C(=O)O)sc3n2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.75
ADORA1 P30542 17/20 0.64
ADORA3 P0DMS8 2/20 0.57

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
SCHEMBL3309309 0.86 ADORA2A (1.00) ADORA2AADORA1ADORA3
SCHEMBL3300813 0.82 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL3303429 0.81 ADORA2A (0.64) ADORA2AADORA1ADORA3
SCHEMBL3297795 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA3
SCHEMBL3304836 0.80 ADORA2A (0.58) ADORA2AADORA1ADORA3
SCHEMBL3300340 0.80 ADORA2A (0.60) ADORA2AADORA1ADORA3
SCHEMBL3301866 0.80 ADORA2A (0.58) ADORA2AADORA1ADORA3
SCHEMBL3300645 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA3
SCHEMBL13389224 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA3
SCHEMBL3295339 0.79 ADORA2A (0.72) ADORA2AADORA1ADORA3

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