SCHEMBL6967267

SCHEMBL6967267

CC(C)(C)OC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.50
TGFBR1 P36897 1/20 0.45
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
CSNK1D P48730 2/20 0.45
CSNK1E P49674 2/20 0.45
TNK2 Q07912 1/20 0.44

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
SCHEMBL7890787 0.89 MAPK14 (0.53) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL6955880 0.86 MAPK14 (0.54) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL6880496 0.85 MAPK14 (0.54) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL6950452 0.85 MAPK14 (0.71) MAPK14
SCHEMBL4913562 0.84 MAPK14 (0.65) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL4915292 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7884407 0.78 MAPK14 (0.68) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL22730495 0.78 MAPK14 (0.71) MAPK14
SCHEMBL3668786 0.78 EGFR (0.57) MAPK14TGFBR1MAPK13MAPK12MAPK11
SCHEMBL6423015 0.78 MAPK14 (0.60) MAPK14TGFBR1MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0900083-B1 NOVEL SUBSTITUTED IMIDAZOLE COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2003-08-20 EP disclosed
US-5977103-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
US-5864036-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-26 US disclosed
US-5756499-A Substituted imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1998-05-26 US disclosed