SCHEMBL6385386

SCHEMBL6385386

C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(-c3cccc(C#N)c3)ncnc21

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.59
▸ DNPH1 O43598 4/20 0.56
▸ ADORA3 P0DMS8 8/20 0.55
▸ ADORA1 P30542 5/20 0.52
▸ ADORA2B P29275 3/20 0.52
▸ SLC29A1 Q99808 1/20 0.47
▸ ADA P00813 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL6838463 0.86 ADORA2A (0.69) ADORA2ADNPH1ADORA3ADORA1ADORA2B
SCHEMBL6379846 0.83 ADORA2A (0.62) ADORA2ADNPH1ADORA3ADORA1ADORA2B
SCHEMBL6379616 0.83 ADORA2A (0.62) ADORA2ADNPH1ADORA3ADORA1ADORA2B
SCHEMBL6382941 0.82 ADORA2A (0.63) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6838024 0.80 ADORA2A (0.65) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6380393 0.79 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6462442 0.79 ADORA2A (0.64) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL6422247 0.78 ADORA2A (0.58) ADORA2ADNPH1ADORA3ADORA1ADORA2B
SCHEMBL14589604 0.76 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BADA
SCHEMBL16311915 0.76 ADORA2A (0.77) ADORA2AADORA3ADORA1ADORA2BADA

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
EP-1501850-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2005-02-02 — — EP claimed
WO-2003093290-A2 NUCLEOSIDE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION GENELABS TECHNOLOGIES, INC. (US) 2003-11-13 — — WO claimed
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