SCHEMBL20097205

SCHEMBL20097205

Nc1ccc2c3ccccc3n(CNCC3OC[C@@](O)(n4cnc5c(N)ncnc54)C3O)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.36
▸ GMPS P49915 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ SLC28A1 O00337 1/20 0.35
▸ NNMT P40261 1/20 0.34
▸ PI4KA P42356 1/20 0.33
▸ PI4K2B Q8TCG2 1/20 0.33
▸ PI4K2A Q9BTU6 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ PNMT P11086 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.32
▸ AHCY P23526 1/20 0.32

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
SCHEMBL21311192 0.86 DOT1L (0.37) ADORA2AGMPSADORA3SLC28A1PI4KA
SCHEMBL21311211 0.85 PNMT (0.36) ADORA2AGMPSADORA3NNMTPNMT
SCHEMBL20097182 0.85 GMPS (0.35) ADORA2AGMPSADORA3SLC28A1NNMT
SCHEMBL21311209 0.83 DOT1L (0.38) GMPSPNMTDOT1L
SCHEMBL21311196 0.82 DOT1L (0.34) ADORA2AGMPSADORA3SLC28A1NNMT
SCHEMBL21311212 0.80 DOT1L (0.35) ADORA2AGMPSADORA3SLC28A1NNMT
SCHEMBL21311199 0.79 GMPS (0.35) ADORA2AGMPSADORA3SLC28A1NNMT
SCHEMBL21311465 0.79 NNMT (0.54) ADORA2AADORA3SLC28A1NNMTPI4KA
SCHEMBL21311390 0.78 DOT1L (0.34) ADORA2AGMPSADORA3SLC28A1NNMT
SCHEMBL21311388 0.77 DOT1L (0.41) ADORA2AGMPSADORA3SLC28A1PI4KA

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-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 — — WO disclosed
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