SCHEMBL9195347

SCHEMBL9195347

CSc1ccc(-c2nc3n(c2-c2ccncc2)CCC3=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.55
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
GCGR P47871 5/20 0.55
PDE10A Q9Y233 1/20 0.41
TEK Q02763 1/20 0.41
ALOX5 P09917 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKD3 O94806 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
PRKACA P17612 1/20 0.39

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
SCHEMBL9275627 0.86 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9277096 0.85 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7381635 0.84 TEK (0.44) MAPK14MAPK13MAPK12MAPK11TEK
SCHEMBL9271797 0.82 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7352490 0.79 PDE10A (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7377231 0.79 PDE10A (0.60) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9700092 0.78 PDE10A (0.56) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL9195358 0.76 GABRA1 (0.42) MAPK14MAPK13MAPK12MAPK11PDE10A
SCHEMBL7369791 0.75 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7374151 0.75 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563286-A4 NOVEL CSAIDS SMITHKLINE BEECHAM CORP (US) 1995-01-11 EP claimed
EP-0563286-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-06 EP claimed
WO-1992010498-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 WO claimed
EP-0563286-A4 NOVEL CSAIDS SMITHKLINE BEECHAM CORP (US) 1995-01-11 EP disclosed
EP-0563286-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-10-06 EP disclosed
WO-1992010498-A1 NOVEL CSAIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-06-25 WO disclosed