SCHEMBL4585226

SCHEMBL4585226

CCc1ccccc1C(=O)[C@]1(n2cc(F)c(N)nc2=O)CC[C@@H](CO)O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.35
DCK P27707 9/20 0.33
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CDK2 P24941 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL4585346 0.91 ALB (0.37) ALBDCKCDK1CDK4CCND1
SCHEMBL598982 0.87 DCK (0.41) ALBDCK
SCHEMBL597971 0.85 ALB (0.35) ALBDCK
SCHEMBL597543 0.82 DCK (0.40) ALBDCKCDK2
SCHEMBL597929 0.82 DCK (0.40) ALBDCK
SCHEMBL598749 0.82 ALB (0.38) ALBDCK
SCHEMBL598692 0.82 DCK (0.42) ALBDCK
SCHEMBL598529 0.81 ALB (0.36) ALBDCK
SCHEMBL598445 0.81 DCK (0.38) ALBDCK
SCHEMBL597942 0.81 ALB (0.35) ALBDCK

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