SCHEMBL8622034

SCHEMBL8622034

COc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](OC)[C@H]3O)c2n1

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.82
ADORA2B P29275 12/20 0.82
ADORA3 P0DMS8 1/20 0.68
ADORA1 P30542 1/20 0.68

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
SCHEMBL8622040 1.00 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1
SCHEMBL2777661 0.92 ADORA2A (0.82) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL990075 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL990077 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13224527 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL24838605 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13863558 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL13224547 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
Bvt.115959 SCHEMBL12012980 0.90 ADORA2A (1.00) ADORA2AADORA2BADORA3ADORA1
SCHEMBL8624075 0.89 ADORA2A (0.66) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773603-A ADENOSINE DEAMINASE INHIBITOR NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-06-30 US disclosed
US-5705491-A Adenosine deaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1998-01-06 US disclosed
EP-0601322-A2 Adenosindeaminase inhibitor NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1994-06-15 EP disclosed