SCHEMBL598982

SCHEMBL598982

Nc1nc(=O)n([C@@]2(C(=O)c3ccccc3)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCK P27707 14/20 0.41
ALB P02768 1/20 0.37
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
CYP1A2 P05177 1/20 0.33
EP300 Q09472 2/20 0.32
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL597961 0.92 ALB (0.37) DCKALBEP300
SCHEMBL597543 0.91 DCK (0.40) DCKALBEP300MAPT
SCHEMBL598445 0.90 DCK (0.38) DCKALBEP300
SCHEMBL598529 0.90 ALB (0.36) DCKALBEP300
SCHEMBL4585346 0.90 ALB (0.37) DCKALBABL1RIN1
SCHEMBL597288 0.89 DCK (0.45) DCKALB
SCHEMBL597929 0.89 DCK (0.40) DCKALB
SCHEMBL597971 0.89 ALB (0.35) DCKALBEP300
SCHEMBL598692 0.89 DCK (0.42) DCKALBEP300MAPT
SCHEMBL597942 0.88 ALB (0.35) DCKALBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP disclosed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP disclosed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO disclosed