SCHEMBL6579648

SCHEMBL6579648

C[S+]([O-])c1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.76
BRD4 O60885 8/20 0.63
BRDT Q58F21 3/20 0.63
BRD2 P25440 1/20 0.63
BRD3 Q15059 1/20 0.63
PRKD3 O94806 2/20 0.51
MAP4K4 O95819 2/20 0.51
PRKACA P17612 2/20 0.51
CSNK1A1 P48729 2/20 0.51
CSNK1D P48730 2/20 0.51
MINK1 Q8N4C8 2/20 0.51
MAP4K5 Q9Y4K4 2/20 0.51
MAPK11 Q15759 2/20 0.51
MAPK13 O15264 1/20 0.51
RIPK2 O43353 1/20 0.51
DYRK3 O43781 1/20 0.51
PRKCG P05129 1/20 0.51
LCK P06239 1/20 0.51
LYN P07948 1/20 0.51
RET P07949 1/20 0.51

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
SCHEMBL6581980 0.87 MAPK14 (1.00) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6577112 0.84 MAPK14 (0.79) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730462 0.82 BRD4 (0.83) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL1641005 0.80 MAPK14 (0.81) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730413 0.79 BRD4 (0.88) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6794576 0.78 MAPK14 (0.85) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579077 0.78 MAPK14 (0.79) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL22730369 0.78 MAPK14 (0.85) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6952550 0.78 MAPK14 (0.81) MAPK14BRD4BRDTBRD2BRD3
SCHEMBL6579108 0.77 MAPK14 (0.78) 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