SCHEMBL8549518

SCHEMBL8549518

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

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.62
MAPK13 O15264 4/20 0.62
MAPK12 P53778 4/20 0.62
MAPK11 Q15759 4/20 0.62
RAF1 P04049 3/20 0.62
MAPK9 P45984 3/20 0.62
EGFR P00533 12/20 0.57
KCNH2 Q12809 1/20 0.57
MAPK10 P53779 1/20 0.51
CSNK1A1 P48729 1/20 0.48
CSNK1D P48730 1/20 0.48
RPS6KA3 P51812 1/20 0.48
GSK3B P49841 1/20 0.47

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
SCHEMBL7500317 0.83 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4585131 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4586963 0.78 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4024638 0.78 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4587083 0.78 MAPK11 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4583969 0.77 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4455230 0.77 MAPK14 (0.92) MAPK14MAPK13MAPK12MAPK11EGFR
SCHEMBL4583050 0.76 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5574428 0.75 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4584991 0.75 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1

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-0831830-A4 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-12-02 EP disclosed
EP-0831830-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-04-01 EP disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed