SCHEMBL19204725

SCHEMBL19204725

CN(C(=O)c1cn[nH]c1)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.60
ADORA2B P29275 8/20 0.60
ADORA3 P0DMS8 1/20 0.59
ADORA1 P30542 1/20 0.59

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
SCHEMBL3423089 0.82 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL272915 0.80 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13403870 0.80 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL13437799 0.80 ADORA2A (0.68) ADORA2AADORA2BADORA3ADORA1
SCHEMBL927701 0.78 LMNA (0.66) ADORA2AADORA2BADORA3ADORA1
SCHEMBL723979 0.78 ADORA2A (0.62) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL24838605 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13863558 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13224527 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13224547 0.76 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019191389-A1 SOLID-STATE FORMS OF REGADENOSON, THEIR USE AND PREPARATION JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-10-03 WO disclosed
WO-2017136757-A1 USE OF ADENOSINE RECEPTOR SIGNALING TO REGULATE P-GP FUNCTION CORNELL UNIVERSITY (US) 2017-08-10 WO disclosed