SCHEMBL7254450

SCHEMBL7254450

Nc1nc2c(ncn2[C@@H]2O[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2O)c(=O)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 6/20 0.56
▸ HINT1 P49773 3/20 0.53
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49
▸ NT5E P21589 3/20 0.48
▸ TAAR1 Q96RJ0 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ TGM2 P21980 1/20 0.46
▸ PNP P00491 1/20 0.45

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
SCHEMBL7254452 1.00 TYMP (0.56) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL6838999 0.94 TYMP (0.59) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL7253951 0.87 TYMP (0.49) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL7253950 0.87 TYMP (0.49) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL6869098 0.85 TYMP (0.77) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL1904550 0.85 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL10904155 0.85 TYMP (0.76) TYMPHINT1GSK3ARPS6KA3MAPK14
SCHEMBL646778 0.84 HINT1 (0.54) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL4370987 0.83 HINT1 (0.55) HINT1GSK3ARPS6KA3MAPK14NT5E
SCHEMBL34927 0.82 TYMP (0.64) TYMPHINT1GSK3ARPS6KA3MAPK14

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-2003051881-A1 SUBSTITUTED PURINE NUCLEOSIDE LIBRARIES AND COMPOUNDS BY SOLID-PHASE COMBINATORIAL STRATEGIES RIBAPHARM INC. (US) 2003-06-26 — — WO disclosed
Send feedback