SCHEMBL9153418

SCHEMBL9153418

Nc1nc(N)c2ncn([C@@H]3C[C@H](O)[C@@H](CI)O3)c2n1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.64
HTT P42858 1/20 0.64
PDE4D Q08499 1/20 0.64
PDE3A Q14432 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
RXFP1 Q9HBX9 1/20 0.64
NT5E P21589 1/20 0.55
AHCY P23526 2/20 0.51
ADRB1 P08588 1/20 0.49
DNMT1 P26358 1/20 0.49
POLB P06746 2/20 0.48
CYP1A2 P05177 1/20 0.48
HBB P68871 1/20 0.48
HIF1A Q16665 1/20 0.46
ENPP1 P22413 1/20 0.46
P2RY1 P47900 1/20 0.46

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
SCHEMBL9153413 1.00 PNP (0.64) PNPLMNATP53HTTPDE4D
SCHEMBL6839500 0.91 PNP (0.64) PNPLMNATP53HTTPDE4D
SCHEMBL23982120 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL21562191 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL5982387 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL12123492 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL8712178 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL1678967 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL176347 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D
SCHEMBL29383092 0.89 PNP (0.79) PNPLMNATP53HTTPDE4D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449664-A Nucleosides SYNTEX (U.S.A.) INC. (US) 1995-09-12 US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed