SCHEMBL8939245

SCHEMBL8939245

COc1nc(N)nc2c1ncn2[C@H]1C[C@H](F)[C@@H](CO)O1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNP P00491 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.47
HBB P68871 1/20 0.47
CYP2C19 P33261 1/20 0.44
SLC29A1 Q99808 5/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA1 P30542 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADRB1 P08588 1/20 0.43
DNMT1 P26358 1/20 0.43
HIF1A Q16665 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
SCHEMBL8830322 0.89 PNP (0.46) PNPLMNATP53HTTPDE4D
SCHEMBL23352546 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL29502677 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL17521211 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL657819 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL9141685 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL21162582 0.88 PNP (0.62) PNPLMNATP53HTTPDE4D
SCHEMBL8826276 0.87 PNP (0.46) PNPLMNATP53HTTPDE4D
SCHEMBL9360335 0.87 PNP (0.46) PNPLMNATP53HTTPDE4D
SCHEMBL9150000 0.86 PDE4D (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 EP claimed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 EP claimed
US-5574149-A Method of treating HIV infections with 2',3'-dideoxy-3'-fluoro-5-chlorouridine GLAXO WELLCOME INC. (US) 1996-11-12 US disclosed
EP-0670328-A1 Therapeutic nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1995-09-06 EP disclosed
EP-0317128-A2 Anti-HIV Pyrimidine Nucleosides THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-24 EP disclosed