SCHEMBL8990546

SCHEMBL8990546

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(F)F)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 11/20 0.66
PRMT5 O14744 1/20 0.66
WDR77 Q9BQA1 1/20 0.66
ADORA2A P29274 2/20 0.65
ADORA2B P29275 2/20 0.65
DPP4 P27487 1/20 0.65
MEN1 O00255 1/20 0.65
SLC28A1 O00337 1/20 0.65
MAP3K7 O43318 1/20 0.65
SLC28A2 O43868 1/20 0.65
GAPDH P04406 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
MAPK1 P28482 1/20 0.65
ADORA1 P30542 1/20 0.65
STAT6 P42226 1/20 0.65
PI4KA P42356 1/20 0.65
KMT2A Q03164 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
PI4K2B Q8TCG2 1/20 0.65
DOT1L Q8TEK3 1/20 0.65

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
SCHEMBL26239612 1.00 AHCY (0.66) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL25390909 1.00 AHCY (0.66) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL4650654 1.00 AHCY (0.66) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL25390247 1.00 AHCY (0.66) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL31680251 0.92 AHCY (0.68) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL397800 0.92 AHCY (0.68) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL2120934 0.91 PRMT5 (0.67) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL9874712 0.90 AHCY (0.65) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL9874701 0.90 AHCY (0.65) AHCYPRMT5WDR77ADORA2AADORA2B
SCHEMBL7803295 0.89 AHCY (0.67) AHCYPRMT5WDR77ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4997925-A Enzyme inhibitors, viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-05 US claimed
EP-0304889-B1 Novel aristeromycin/adenosine derivatives MERRELL PHARMA INC (US) 1996-08-14 EP disclosed
US-5521162-A ANTITUMOR AGENTS OR VIRAL DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-05-28 US disclosed
US-5470837-A Autoimmune disease MERRELL DOW PHARMACEUTICALS INC. (US) 1995-11-28 US disclosed
EP-0471383-B1 Use of 5'-vinylhalo-aristeromycin/adenosine analogs as immunosuppressants MERRELL DOW PHARMA (US) 1995-03-15 EP disclosed
EP-0471383-A2 Use of 5'-vinylhalo-aristeromycin/adenosine analogs as immunosuppressants MERRELL DOW PHARMACEUTICALS INC. (US) 1992-02-19 EP disclosed
US-4997925-A Enzyme inhibitors, viricides MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-05 US disclosed
US-4997924-A Viricides, antitumor agents and for controlling growth of virus and cells MERRELL DOW PHARMACEUTICALS INC. (US) 1991-03-05 US disclosed
EP-0304889-A2 Novel aristeromycin/adenosine derivatives MERRELL PHARMACEUTICALS INC. (US) 1989-03-01 EP disclosed