SCHEMBL4409629

SCHEMBL4409629

Nc1nc2c(ncn2[C@H]2CC[C@@H](CO)O2)c(=O)n1F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
LMNA P02545 3/20 0.59
ALDH1A1 P00352 2/20 0.59
ALB P02768 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.40
PNP P00491 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABL1 P00519 1/20 0.37
RIN1 Q13671 1/20 0.37
ADA P00813 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
NT5E P21589 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL19325462 0.88 CYP1A2 (0.67) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL3065891 0.82 ALDH1A1 (0.54) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL6692360 0.81 CYP1A2 (0.60) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL6858256 0.81 CYP1A2 (0.45) CYP1A2LMNAPNPTP53HTT
SCHEMBL21362298 0.79 ALDH1A1 (0.64) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL3162 0.79 ALDH1A1 (0.70) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL13833316 0.79 ALDH1A1 (0.70) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL16695889 0.79 ALDH1A1 (0.70) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL8104283 0.79 ALDH1A1 (0.70) CYP1A2LMNAALDH1A1ALBMAPK1
SCHEMBL19325461 0.79 ALDH1A1 (0.70) CYP1A2LMNAALDH1A1ALBMAPK1

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-2046328-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-04-15 EP claimed
WO-2008010953-A2 PYRIDINONE DIKETO ACIDS: INHIBITORS OF HIV REPLICATION IN COMBINATION THERAPY UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2008-01-24 WO claimed
EP-0350287-A2 Lipid derivatives of antiviral nucleosides, liposomal incorporation and method of use NeXstar Pharmaceuticals, Inc. (US) 1990-01-10 EP claimed
EP-1974026-A2 MUTANT DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGene A/S (DK) 2008-10-01 EP disclosed
WO-2007079753-A2 MUTANT DEOXYADENOSINE KINASE ENZYMES AND THEIR USE ZGENE A/S (DK) 2007-07-19 WO disclosed