SCHEMBL8655733

SCHEMBL8655733

CCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(O)n4)n3C3CCNCC3)n2C2CCNCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.66
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
HSPB1 P04792 1/20 0.54
PRKCB P05771 1/20 0.54
PRKCA P17252 1/20 0.54
PRKACA P17612 1/20 0.54
CSNK1A1 P48729 1/20 0.54
CSNK1D P48730 1/20 0.54
MINK1 Q8N4C8 1/20 0.54
MAP4K5 Q9Y4K4 1/20 0.54
BRD4 O60885 5/20 0.51
BRDT Q58F21 4/20 0.51
MAPK11 Q15759 2/20 0.49

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
SCHEMBL8655729 0.86 MAPK14 (0.90) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL4916756 0.80 MAPK14 (1.00) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL7815822 0.75 MAPK14 (0.70) MAPK14BRD4BRDTMAPK11
SCHEMBL4585589 0.74 MAPK14 (0.80) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL6876637 0.72 MAPK14 (0.82) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL4916787 0.71 MAPK14 (0.81) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL4583070 0.71 MAPK14 (0.60) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL4916783 0.71 MAPK14 (0.81) MAPK14PRKD3MAP4K4HSPB1PRKCB
Sb-242235 SCHEMBL2267209 0.70 MAPK14 (1.00) MAPK14PRKD3MAP4K4HSPB1PRKCB
SCHEMBL1639908 0.70 MAPK14 (0.50) MAPK14PRKD3MAP4K4HSPB1PRKCB

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
US-5716955-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-02-10 US claimed