SCHEMBL12579974

SCHEMBL12579974

CC(C)C[C@@H](CO)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)CC1O

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 1/20 0.54
▸ ADORA2A P29274 2/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ SLC6A2 P23975 1/20 0.47
▸ ADORA1 P30542 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47

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
SCHEMBL13467664 0.83 HIF1A (0.60) SLC29A1
SCHEMBL23982263 0.83 ADORA3 (0.67) SLC29A1ADORA2AADORA3ADORA2BADORA1
SCHEMBL7737737 0.83 ADORA3 (0.67) SLC29A1ADORA2AADORA3ADORA2BADORA1
SCHEMBL7737742 0.83 ADORA3 (0.67) SLC29A1ADORA2AADORA3ADORA2BADORA1
SCHEMBL14713414 0.83 ADORA3 (0.67) ADORA2AADORA3ADORA2BSLC6A2ADORA1
SCHEMBL20626493 0.83 ADORA3 (0.67) ADORA2AADORA3ADORA2BSLC6A2ADORA1
SCHEMBL14714110 0.83 ADORA3 (0.67) ADORA2AADORA3ADORA2BSLC6A2ADORA1
SCHEMBL20626492 0.83 ADORA3 (0.67) ADORA2AADORA3ADORA2BSLC6A2ADORA1
SCHEMBL24021943 0.81 SLC29A1 (0.65) SLC29A1ADORA2AADORA3ADORA1
SCHEMBL13467562 0.81 SLC29A1 (0.54) SLC29A1ADORA2AADORA3ADORA2BADORA1

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-2011069294-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF 中国医学科学院药物研究所 (CN) 2011-06-16 — — WO disclosed
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