SCHEMBL9856727

SCHEMBL9856727

Nc1nc2c(ncn2[C@@H]2C[C@@H](O)[C@@H](COC(=O)c3ccccc3)O2)c(=S)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
TYMP P19971 1/20 0.48
PNP P00491 2/20 0.48
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
P2RY2 P41231 1/20 0.47
P2RY4 P51582 1/20 0.47
P2RY6 Q15077 1/20 0.47
HINT1 P49773 2/20 0.45
NT5E P21589 1/20 0.44
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL9855806 0.91 PNP (0.47) POLBTYMPPNPGSK3ARPS6KA3
SCHEMBL5360855 0.91 POLB (0.62) POLBTYMPPNPGSK3ARPS6KA3
SCHEMBL10532094 0.85 POLB (0.53) POLBTYMPPNPGSK3ARPS6KA3
SCHEMBL10006936 0.82 POLB (0.67) POLBP2RY2P2RY4P2RY6NT5E
SCHEMBL1401380 0.82 POLB (0.56) POLBTYMPPNPP2RY2P2RY4
SCHEMBL7519500 0.82 PNP (0.50) POLBTYMPPNPHINT1NT5E
SCHEMBL13031161 0.82 TYMP (0.53) POLBTYMPPNPGSK3ARPS6KA3
SCHEMBL7519498 0.82 PNP (0.50) POLBTYMPPNPHINT1NT5E
SCHEMBL16160872 0.81 POLB (0.57) POLBTYMPPNPP2RY2P2RY4
SCHEMBL338780 0.81 POLB (0.60) POLBTYMPGSK3ARPS6KA3MAPK14

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-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed