SCHEMBL20097017

SCHEMBL20097017

Nc1ncnc2c1ncn2C1(O)COC(CNCn2cnc3c(Cl)ncnc32)C1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 1/20 0.39
▸ METTL14 Q9HCE5 1/20 0.39
▸ ADORA2A P29274 8/20 0.38
▸ GMPS P49915 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ SLC28A1 O00337 1/20 0.38
▸ ADORA1 P30542 4/20 0.37
▸ AHCY P23526 3/20 0.37
▸ PI4KA P42356 3/20 0.37
▸ PI4K2B Q8TCG2 3/20 0.37
▸ PI4K2A Q9BTU6 3/20 0.37
▸ PI4KB Q9UBF8 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ ADCY1 Q08828 1/20 0.36
▸ ADORA2B P29275 1/20 0.35

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
SCHEMBL21311159 0.81 HTT (0.46) METTL3METTL14ADORA2AGMPSADORA3
SCHEMBL21311154 0.80 ADORA3 (0.47) ADORA2AGMPSADORA3SLC28A1ADORA1
SCHEMBL21311216 0.78 ADORA2A (0.47) ADORA2AGMPSADORA3SLC28A1ADORA1
SCHEMBL25521510 0.78 ADORA3 (0.53) ADORA2AGMPSADORA3SLC28A1ADORA1
SCHEMBL23025515 0.78 ADORA3 (0.53) ADORA2AGMPSADORA3SLC28A1ADORA1
SCHEMBL20097209 0.78 ADORA2A (0.35) METTL3METTL14ADORA2AGMPSADORA3
SCHEMBL21311217 0.77 ADORA2A (0.47) ADORA2AGMPSADORA3SLC28A1ADORA1
SCHEMBL21311468 0.77 ALDH1A1 (0.39) ADORA2AGMPSADORA3SLC28A1ALDH1A1
SCHEMBL21311388 0.77 DOT1L (0.41) ADORA2AGMPSADORA3SLC28A1AHCY
SCHEMBL20097205 0.76 ADORA2A (0.36) ADORA2AGMPSADORA3SLC28A1AHCY

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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