SCHEMBL5724993

SCHEMBL5724993

CC(C)Nc1ccn2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.48
MAPK9 P45984 5/20 0.45
MAPK8 P45983 4/20 0.45
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
CDK4 P11802 1/20 0.44
MAPK10 P53779 2/20 0.43
PDE4B Q07343 1/20 0.43
PDE10A Q9Y233 1/20 0.43
GSK3B P49841 6/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
MAPK1 P28482 2/20 0.43
CSNK1A1 P48729 2/20 0.43
GSK3A P49840 2/20 0.43
CSNK1G2 P78368 2/20 0.43
TAOK1 Q7L7X3 2/20 0.43
MINK1 Q8N4C8 2/20 0.43

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
SCHEMBL5214451 0.92 CSNK1D (0.51) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5725747 0.90 EIF2AK2 (0.48) MAPK9MAPK8MAPK10PDE4BPDE10A
SCHEMBL5726207 0.88 CSNK1D (0.50) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5725886 0.87 CSNK1D (0.46) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5890439 0.86 CSNK1D (0.47) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5725659 0.86 MAPK9 (0.46) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5214973 0.85 CSNK1D (0.51) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL5726060 0.85 CSNK1D (0.51) CSNK1DMAPK9MAPK8MAPK13MAPK12
SCHEMBL6182652 0.83 GSK3B (0.58) MAPK13MAPK12MAPK11MAPK14GSK3B
SCHEMBL6496045 0.83 CSNK1D (0.51) CSNK1DMAPK9MAPK8MAPK13MAPK12

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
EP-1377575-B1 ANTIVIRAL PYRAZOLOPYRIDINE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2006-07-05 EP claimed