SCHEMBL13392121

SCHEMBL13392121

C[C@]1(O)C(c2cnc3c(N)ncnn23)OC(CO)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.47
▸ ADA P00813 1/20 0.36
▸ PI4KA P42356 2/20 0.35
▸ PI4K2B Q8TCG2 2/20 0.35
▸ PI4K2A Q9BTU6 2/20 0.35
▸ PI4KB Q9UBF8 2/20 0.35
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA2B P29275 2/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ DPP4 P27487 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ SLC28A1 O00337 1/20 0.34
▸ MAP3K7 O43318 1/20 0.34
▸ SLC28A2 O43868 1/20 0.34
▸ GAPDH P04406 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ STAT6 P42226 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ DOT1L Q8TEK3 1/20 0.34

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
SCHEMBL12253777 1.00 ADORA2A (0.47) ADORA2AADAPI4KAPI4K2BPI4K2A
SCHEMBL15682919 0.90 ADORA2A (0.41) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL10149698 0.88 ADORA2A (0.40) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL881381 0.88 ADORA2A (0.40) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL16502887 0.85 ADORA2A (0.35) ADORA2APRMT5WDR77
SCHEMBL19632727 0.85 ADORA2A (0.36) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19636517 0.85 ADORA2A (0.36) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19636433 0.85 ADORA2A (0.36) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL19632732 0.85 ADORA2A (0.36) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL17124563 0.85 ADORA2A (0.38) ADORA2API4KAPI4K2BPI4K2API4KB

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-2010036407-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-04-01 — — WO disclosed
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