SCHEMBL23892098

SCHEMBL23892098

O=c1c2ncn(C3C[C@H](O)[C@@H](CO)O3)c2nc2ncccn12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ ADRB1 P08588 1/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ PIM1 P11309 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48

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
SCHEMBL23647919 1.00 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL29450646 1.00 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23647920 1.00 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL23666665 1.00 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL14156822 0.82 PNP (0.61) PNPLMNATP53HTTPDE4D
SCHEMBL4528206 0.80 PNP (0.54) PNPLMNATP53HTTPDE4D
SCHEMBL14156823 0.79 PNP (0.53) PNPLMNATP53HTTPDE4D
SCHEMBL20165850 0.77 PNP (0.64) PNPLMNATP53HTTPDE4D
SCHEMBL17521209 0.77 PNP (0.58) PNPLMNATP53HTTPDE4D
SCHEMBL10446997 0.77 PNP (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3889602-A1 MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION Universität Basel (CH) 2021-10-06 — — EP disclosed
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