SCHEMBL16801790

SCHEMBL16801790

COC(=O)CO[C@H]1C(n2cnc3c(N)ncnc32)O[C@H](CO)[C@H]1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.67
▸ ADORA3 P0DMS8 6/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ DPP4 P27487 1/20 0.64
▸ MEN1 O00255 1/20 0.64
▸ SLC28A1 O00337 1/20 0.64
▸ MAP3K7 O43318 1/20 0.64
▸ SLC28A2 O43868 1/20 0.64
▸ GAPDH P04406 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ ADORA2A P29274 1/20 0.64
▸ STAT6 P42226 1/20 0.64
▸ PI4KA P42356 1/20 0.64
▸ KMT2A Q03164 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ PI4K2B Q8TCG2 1/20 0.64
▸ DOT1L Q8TEK3 1/20 0.64
▸ SLC29A1 Q99808 1/20 0.64
▸ PI4K2A Q9BTU6 1/20 0.64
▸ SLC28A3 Q9HAS3 1/20 0.64

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
SCHEMBL2402156 1.00 ADORA1 (0.67) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL2402159 1.00 ADORA1 (0.67) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL2524242 0.92 ADORA1 (0.66) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL2524241 0.92 ADORA1 (0.66) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL24943491 0.88 ADORA1 (0.62) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL16002755 0.88 ADORA2A (0.57) ADORA1ADORA3ADORA2BADORA2AHIF1A
SCHEMBL18950667 0.88 ADORA2A (0.57) ADORA1ADORA3ADORA2BADORA2AHIF1A
SCHEMBL18349680 0.87 ADORA1 (0.63) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL16392751 0.87 ADORA1 (0.63) ADORA1ADORA3ADORA2BDPP4MEN1
SCHEMBL16392739 0.87 ADORA1 (0.63) ADORA1ADORA3ADORA2BDPP4MEN1

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-2015083764-A1 ANTIGEN-BINDING MOLECULES, THE ANTIGEN-BINDING ACTIVITY OF WHICH VARIES ACCORDING TO THE CONCENTRATION OF COMPOUNDS, AND LIBRARIES OF SAID MOLECULES 中外製薬株式会社 2015-06-11 — — WO disclosed
Send feedback