SCHEMBL6579262

SCHEMBL6579262

COc1ccccc1Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.75
BRDT Q58F21 3/20 0.72
MAPK11 Q15759 2/20 0.72
BRD4 O60885 3/20 0.69
BRD2 P25440 1/20 0.69
BRD3 Q15059 1/20 0.69
PRKD3 O94806 2/20 0.69
MAP4K4 O95819 2/20 0.69
PRKACA P17612 2/20 0.69
CSNK1A1 P48729 2/20 0.69
CSNK1D P48730 2/20 0.69
MINK1 Q8N4C8 2/20 0.69
MAP4K5 Q9Y4K4 2/20 0.69
HSPB1 P04792 1/20 0.69
PRKCB P05771 1/20 0.69
PRKCA P17252 1/20 0.69
MAPK13 O15264 1/20 0.61
RIPK2 O43353 1/20 0.61
DYRK3 O43781 1/20 0.61
PRKCG P05129 1/20 0.61

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
SCHEMBL6579510 0.90 MAPK14 (0.80) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6578676 0.87 MAPK14 (0.73) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6581980 0.86 MAPK14 (1.00) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6579077 0.85 MAPK14 (0.79) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6579108 0.85 MAPK14 (0.78) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6578767 0.84 BRD4 (0.80) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL6576557 0.84 BRD4 (0.77) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL1640306 0.84 MAPK14 (1.00) MAPK14BRDTMAPK11BRD4BRD2
SCHEMBL4915397 0.83 MAPK14 (1.00) MAPK14BRDTMAPK11BRD4PRKD3
SCHEMBL6785832 0.83 MAPK14 (0.76) MAPK14BRDTMAPK11BRD4BRD2

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-0961618-B1 5-Pyrimidinyl-4-yl-Imidazole Derivate zur Behandlung von CSBP/RK/p38 vermittelten Erkrankungen SMITHKLINE BEECHAM CORP (US) 2004-08-04 EP claimed