SCHEMBL8445449

SCHEMBL8445449

OCCOCn1cc(I)c2c(Cl)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 8/20 0.44
SLC29A1 Q99808 1/20 0.44
DYRK3 O43781 1/20 0.37
ROCK2 O75116 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
PHKG2 P15735 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
MARK3 P27448 1/20 0.37
FLT3 P36888 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
CLK2 P49760 1/20 0.37
IRAK1 P51617 1/20 0.37
CSNK1G2 P78368 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
CAMK2G Q13555 1/20 0.37
CAMK2D Q13557 1/20 0.37

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
SCHEMBL8445362 0.86 ADK (0.44) ADKSLC29A1USP2PNPTSHR
SCHEMBL25282686 0.84 ADK (0.42) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL1706679 0.84 ADK (0.42) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL8445350 0.84 ADK (0.42) ADKSLC29A1USP2PNPTSHR
SCHEMBL8441851 0.84 DYRK3 (0.54) ADKDYRK3ROCK2PRKD3MAP4K4
SCHEMBL19718904 0.83 ADK (0.39) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL18967629 0.83 ADK (0.39) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL23966901 0.81 ADK (0.48) ADKSLC29A1DYRK3ROCK2PRKD3
SCHEMBL17406926 0.81 ADK (0.41) ADKSLC29A1USP2PNPTSHR
SCHEMBL10389156 0.80 ADK (0.41) ADKSLC29A1DYRK3ROCK2PRKD3

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
US-RE36187-E HERPES SIMPLEX VIRUS; HUMAN CYTOMEGALOVIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1999-04-06 US disclosed
US-4968686-A DECREASED CYTOTOXICITY; CYTOMEGALO AND HERPEX SIMPLEX VIRUSES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1990-11-06 US disclosed
US-4927830-A HERPES, CYTOMEGALO VIRUS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1990-05-22 US disclosed