SCHEMBL5216644

SCHEMBL5216644

Cc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.49
GSK3B P49841 8/20 0.48
CDK4 P11802 2/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MAPK8 P45983 2/20 0.42
MAPK9 P45984 2/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
MAPK1 P28482 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CLK2 P49760 1/20 0.42
GSK3A P49840 1/20 0.42
CSNK1G2 P78368 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
AURKB Q96GD4 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42

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
SCHEMBL5890227 0.89 CSNK1D (0.49) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5215526 0.89 CSNK1D (0.47) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5216017 0.87 CSNK1D (0.46) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5217719 0.86 CSNK1D (0.46) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5215590 0.86 CSNK1D (0.46) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5216364 0.85 CSNK1D (0.44) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5890439 0.84 CSNK1D (0.47) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5214451 0.84 CSNK1D (0.51) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5890649 0.83 CSNK1D (0.51) CSNK1DGSK3BCDK4MAPK13MAPK12
SCHEMBL5891079 0.83 CSNK1D (0.50) CSNK1DGSK3BCDK4MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP claimed
EP-1423389-B1 PYRAZOLO-PYRIDINES FOR THE TREATMENT OF HERPES INFECTIONS SMITHKLINE BEECHAM CORP (US) 2007-06-06 EP disclosed