SCHEMBL598445

SCHEMBL598445

Nc1nc(=O)n([C@@]2(C(=O)c3ccc(Br)cc3)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DCK P27707 10/20 0.38
ALB P02768 1/20 0.36
EP300 Q09472 1/20 0.31

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) DCKALBEP300
SCHEMBL598529 0.91 ALB (0.36) DCKALBEP300
SCHEMBL598982 0.90 DCK (0.41) DCKALBEP300
SCHEMBL597929 0.89 DCK (0.40) DCKALB
SCHEMBL597971 0.89 ALB (0.35) DCKALBEP300
SCHEMBL598692 0.89 DCK (0.42) DCKALBEP300
SCHEMBL597942 0.88 ALB (0.35) DCKALB
SCHEMBL4585346 0.85 ALB (0.37) DCKALB
SCHEMBL597288 0.84 DCK (0.45) DCKALB

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
US-8114997-B2 N4-acylcytosine nucleosides for treatment of viral infections PHARMASSET, INC. (US) 2012-02-14 US disclosed