SCHEMBL6579108

SCHEMBL6579108

COc1cccc(Nc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.78
BRD4 O60885 5/20 0.75
BRDT Q58F21 4/20 0.75
BRD2 P25440 1/20 0.75
BRD3 Q15059 1/20 0.75
PRKD3 O94806 1/20 0.69
MAP4K4 O95819 1/20 0.69
HSPB1 P04792 1/20 0.69
PRKCB P05771 1/20 0.69
PRKCA P17252 1/20 0.69
PRKACA P17612 1/20 0.69
CSNK1A1 P48729 1/20 0.69
CSNK1D P48730 1/20 0.69
MINK1 Q8N4C8 1/20 0.69
MAP4K5 Q9Y4K4 1/20 0.69
MAPK11 Q15759 1/20 0.65

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
SCHEMBL6579077 0.91 MAPK14 (0.79) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6581980 0.88 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730369 0.86 MAPK14 (0.85) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL4911004 0.86 MAPK14 (1.00) MAPK14BRD4BRDTPRKD3MAP4K4
SCHEMBL22730405 0.86 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730357 0.85 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579262 0.85 MAPK14 (0.75) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730440 0.84 BRD4 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6785832 0.84 MAPK14 (0.76) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6578676 0.82 MAPK14 (0.73) MAPK14BRD4BRDTBRD2BRD3

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