SCHEMBL7136557

SCHEMBL7136557

Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc([AsH2])n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.77
PRKD3 O94806 2/20 0.77
MAP4K4 O95819 2/20 0.77
PRKACA P17612 2/20 0.77
CSNK1A1 P48729 2/20 0.77
CSNK1D P48730 2/20 0.77
MINK1 Q8N4C8 2/20 0.77
MAP4K5 Q9Y4K4 2/20 0.77
MAPK13 O15264 2/20 0.77
MAPK12 P53778 2/20 0.77
MAPK11 Q15759 2/20 0.77
RIPK2 O43353 1/20 0.77
DYRK3 O43781 1/20 0.77
PRKCG P05129 1/20 0.77
LCK P06239 1/20 0.77
LYN P07948 1/20 0.77
RET P07949 1/20 0.77
PIM1 P11309 1/20 0.77
MAPK1 P28482 1/20 0.77
FLT4 P35916 1/20 0.77

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
SCHEMBL4585589 0.87 MAPK14 (0.80) MAPK14PRKD3MAP4K4PRKACACSNK1A1
Sb-220025 SCHEMBL173441 0.87 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
Sb-220025 SCHEMBL18066291 0.86 MAPK14 (0.98) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL1640306 0.84 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL13167691 0.84 MAPK14 (0.81) MAPK14PRKD3MAP4K4PRKACACSNK1A1
Sb-242235 SCHEMBL2267209 0.84 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL4915688 0.84 MAPK14 (0.73) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL4915591 0.83 MAPK14 (1.00) MAPK14BRD4BRDT
SCHEMBL22730369 0.83 MAPK14 (0.85) MAPK14PRKD3MAP4K4PRKACACSNK1A1
SCHEMBL6581980 0.83 MAPK14 (1.00) MAPK14PRKD3MAP4K4PRKACACSNK1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0889888-A4 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORP (US) 2003-01-08 EP disclosed
EP-0889888-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1999-01-13 EP disclosed
WO-1997035856-A1 NOVEL TREATMENT FOR CNS INJURIES SMITHKLINE BEECHAM CORPORATION (US) 1997-10-02 WO disclosed