SCHEMBL8683061

SCHEMBL8683061

C=C(C)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)=S)[C@@H](O)[C@H]1O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.57
ADORA3 P0DMS8 6/20 0.57
ADORA2B P29275 5/20 0.57
ADORA1 P30542 4/20 0.56
SLC29A1 Q99808 1/20 0.54
TSHR P16473 2/20 0.53
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52

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
SCHEMBL65315 0.84 SLC29A1 (0.75) ADORA2AADORA3ADORA1SLC29A1TSHR
SCHEMBL29405896 0.84 SLC29A1 (0.75) ADORA2AADORA3ADORA1SLC29A1TSHR
SCHEMBL25167729 0.83 SLC29A1 (0.74) ADORA2AADORA3ADORA1SLC29A1TSHR
SCHEMBL2472334 0.79 SLC29A1 (0.58) ADORA2AADORA3ADORA1SLC29A1TSHR
SCHEMBL218771 0.78 DNPH1 (0.70) ADORA1
SCHEMBL29564165 0.78 DNPH1 (0.70) ADORA1
SCHEMBL30150740 0.77 ADORA1 (0.68) ADORA1SLC29A1
SCHEMBL20608780 0.76 SLC29A1 (0.63) ADORA2AADORA3ADORA1SLC29A1TSHR
SCHEMBL25356221 0.75 P2RX3 (0.79)
SCHEMBL28861515 0.75 AHCY (0.78) ADORA2AADORA3ADORA2BADORA1SLC29A1

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
CN-107574157-A Compositions and methods comprising histidyl-trna synthetase splice variants having non-canonical biological activities 盘古生物制药有限公司 2018-01-12 CN disclosed
WO-1998054315-A1 CELL GROWTH-CONTROLLING OLIGONUCLEOTIDES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-12-03 WO disclosed