SCHEMBL14559271

SCHEMBL14559271

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)C(O)[C@H]1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 6/20 0.72
▸ NT5E P21589 1/20 0.67
▸ GSK3A P49840 2/20 0.62
▸ RPS6KA3 P51812 2/20 0.62
▸ MAPK14 Q16539 2/20 0.62
▸ HPGD P15428 1/20 0.62
▸ TGM2 P21980 1/20 0.61
▸ PNP P00491 1/20 0.60
▸ FUT5 Q11128 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.57
▸ STING1 Q86WV6 2/20 0.56
▸ KRAS P01116 2/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ IMPDH2 P12268 1/20 0.56
▸ IMPDH1 P20839 1/20 0.56

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
SCHEMBL19204426 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19417780 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL22268191 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL25706471 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL784543 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19173745 1.00 HINT1 (0.72) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL19884479 0.92 HINT1 (0.66) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL5360761 0.91 HINT1 (0.65) HINT1NT5EGSK3ARPS6KA3MAPK14
SCHEMBL784327 0.90 HINT1 (0.61) HINT1NT5EGSK3ARPS6KA3MAPK14
Guanosine SCHEMBL24049417 0.90 HPGD (0.76) HINT1NT5EGSK3ARPS6KA3MAPK14

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
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 — — US disclosed
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