SCHEMBL4585346

SCHEMBL4585346

Nc1nc(=O)n([C@@]2(C(=O)c3ccccc3F)CC[C@@H](CO)O2)cc1F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.37
DCK P27707 12/20 0.35
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ABL1 P00519 1/20 0.31
RIN1 Q13671 1/20 0.31
THRB P10828 1/20 0.30
MEN1 O00255 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
SCHEMBL4585226 0.91 ALB (0.35) ALBDCKCDK1CDK4CCND1
SCHEMBL598982 0.90 DCK (0.41) ALBDCKABL1RIN1
SCHEMBL597961 0.86 ALB (0.37) ALBDCK
SCHEMBL597543 0.85 DCK (0.40) ALBDCKCDK2SMN1; SMN2
SCHEMBL598529 0.85 ALB (0.36) ALBDCK
SCHEMBL598445 0.85 DCK (0.38) ALBDCK
SCHEMBL597288 0.83 DCK (0.45) ALBDCK
SCHEMBL597929 0.83 DCK (0.40) ALBDCK
SCHEMBL597971 0.83 ALB (0.35) ALBDCK
SCHEMBL598692 0.83 DCK (0.42) ALBDCKTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569652-A4 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET INC (US) 2008-07-02 EP claimed
EP-1569652-A2 N SP 4 /SP-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS Pharmasset Ltd. (BB) 2005-09-07 EP claimed
WO-2003063771-A2 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL IINFECTIONS PHARMASSET LTD. (BB) 2003-08-07 WO claimed