SCHEMBL6881409

SCHEMBL6881409

CSc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.62
PRKD3 O94806 3/20 0.52
MAP4K4 O95819 3/20 0.52
CSNK1A1 P48729 3/20 0.52
CSNK1D P48730 3/20 0.52
MINK1 Q8N4C8 3/20 0.52
MAP4K5 Q9Y4K4 3/20 0.52
PRKCA P17252 2/20 0.52
MAPK13 O15264 2/20 0.52
LCK P06239 2/20 0.52
MAPK9 P45984 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
PRKD2 Q9BZL6 2/20 0.52
KDM4E B2RXH2 1/20 0.52
EGFR P00533 1/20 0.52
RAF1 P04049 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL22730360 0.92 MAPK14 (0.55) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL22730315 0.92 MAPK14 (0.53) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL22730496 0.92 MAPK14 (0.51) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL7884407 0.89 MAPK14 (0.68) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL27545277 0.88 MAPK14 (0.80) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL6876676 0.87 MAPK14 (0.70) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL22712334 0.86 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7891764 0.86 MAPK14 (0.62) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL6871568 0.86 MAPK14 (0.70) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D
SCHEMBL7048956 0.85 MAPK14 (0.70) MAPK14PRKD3MAP4K4CSNK1A1CSNK1D

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-0935465-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-04-14 EP disclosed
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
EP-1264827-A1 Process for the preparation of Tosylbenzylformamides SMITHKLINE BEECHAM CORPORATION (US) 2002-12-11 EP disclosed
US-6218537-B1 Process for making pyridyl and pyrimidine substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION 2001-04-17 US disclosed
US-6214844-B1 ANTIARTHRITIC AGENTS; BONE DISORDERS; ANTIINFLAMMATORY AGENTS SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed
US-5658903-A Imidazole compounds, compositions and use SMITHKLINE BEECHAM CORPORATION (US) 1997-08-19 US disclosed