SCHEMBL6957542

SCHEMBL6957542

CSc1ccnc(-c2c(-c3ccc(F)cc3)ncn2C2CC(C)(C)NC(C)(C)C2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.65
MAPK13 O15264 8/20 0.52
MAPK12 P53778 8/20 0.52
MAPK11 Q15759 8/20 0.52
CSNK1D P48730 5/20 0.49
CSNK1E P49674 2/20 0.49
PRKD3 O94806 3/20 0.43
MAP4K4 O95819 3/20 0.43
CSNK1A1 P48729 3/20 0.43
MINK1 Q8N4C8 3/20 0.43
MAP4K5 Q9Y4K4 3/20 0.43
PRKACA P17612 2/20 0.43
PRKCA P17252 2/20 0.43
HSPB1 P04792 1/20 0.43
PRKCB P05771 1/20 0.43
LCK P06239 2/20 0.43
MAPK9 P45984 2/20 0.43
PRKD2 Q9BZL6 2/20 0.43
RIPK2 O43353 1/20 0.43
DYRK3 O43781 1/20 0.43

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
SCHEMBL8177432 0.87 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7907044 0.84 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4593648 0.84 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6958734 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL8439511 0.82 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4916626 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL7608455 0.77 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6955789 0.74 MAPK14 (0.73) MAPK14CSNK1DCSNK1E
SCHEMBL7950076 0.71 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL4593520 0.71 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314728-A1 Pyridyl and pyrimidinyl imines as intermediates for imidazole derivatives SMITHKLINE BEECHAM CORPORATION (US) 2003-05-28 EP disclosed
EP-0831830-B1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
US-6218537-B1 Process for making pyridyl and pyrimidine substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
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
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed
WO-1996040143-A1 IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-12-19 WO disclosed