SCHEMBL19003202

SCHEMBL19003202

CC(C)(O)O[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(Cl)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.43
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
SLC29A1 Q99808 3/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ADORA1 P30542 2/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
SLC28A1 O00337 1/20 0.38
MAP3K7 O43318 1/20 0.38
SLC28A2 O43868 1/20 0.38
GAPDH P04406 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPK1 P28482 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
STAT6 P42226 1/20 0.38

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
SCHEMBL24601216 1.00 TYMP (0.43) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL25955271 0.88 ADORA3 (0.52) SLC29A1ADORA1DPP4MEN1SLC28A1
SCHEMBL19344399 0.82 TYMP (0.45) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL12386194 0.82 TYMP (0.45) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL22343722 0.81 SLC29A1 (0.35) SLC29A1ADORA1ADORA3ADORA2AADORA2B
SCHEMBL24601222 0.81 PDE4D (0.52) PDE4DADORA1ADORA3ADORA2AADORA2B
SCHEMBL20333764 0.81 PDE4D (0.52) PDE4DADORA1ADORA3ADORA2AADORA2B
SCHEMBL24538657 0.80 SLC29A1 (0.55) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL7059620 0.80 SLC29A1 (0.55) TYMPPDE4APDE4BPDE4CPDE4D
SCHEMBL23586008 0.80 AHCY (0.39) TYMPADORA2B

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
EP-2137202-B1 PROCESS FOR THE SYNTHESIS OF IB-MECA CAN-FITE BIOPHARMA LTD (IL) 2017-06-21 EP disclosed