SCHEMBL7500317

SCHEMBL7500317

Fc1ccc(-c2nc(C3CCNCC3)[nH]c2-c2ccnc(Nc3ccccc3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.61
MAPK13 O15264 4/20 0.57
MAPK9 P45984 4/20 0.57
MAPK12 P53778 4/20 0.57
MAPK11 Q15759 4/20 0.57
RAF1 P04049 3/20 0.57
CSNK1A1 P48729 1/20 0.55
CSNK1D P48730 1/20 0.55
RPS6KA3 P51812 1/20 0.55
KCNH2 Q12809 3/20 0.52
ACHE P22303 1/20 0.51
BRD4 O60885 2/20 0.49
BRD2 P25440 2/20 0.49
BRD3 Q15059 2/20 0.49
BRDT Q58F21 2/20 0.49

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
SCHEMBL7482928 0.92 MAPK14 (0.54) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL7486651 0.91 MAPK14 (0.56) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8113482 0.88 MAPK14 (0.58) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8112671 0.88 PIK3CG (0.61) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8119524 0.88 CSNK1A1 (0.69) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL7988334 0.86 CSNK1A1 (0.69) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8118041 0.86 CSNK1A1 (0.53) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8119978 0.84 CSNK1A1 (0.56) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL8549518 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK9MAPK12MAPK11
SCHEMBL5772631 0.82 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11

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-0961618-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-07-17 EP disclosed
EP-0961618-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-08 EP disclosed
WO-1998025619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-06-18 WO disclosed