SCHEMBL6583564

SCHEMBL6583564

CCOC(OCC)n1cnc(-c2ccncc2)c1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.68
MAPK13 O15264 17/20 0.68
MAPK12 P53778 17/20 0.68
MAPK11 Q15759 17/20 0.68
MAP4K4 O95819 1/20 0.50
MAPK9 P45984 1/20 0.50
CSNK1A1 P48729 1/20 0.50
CSNK1D P48730 1/20 0.50
CDC42BPA Q5VT25 1/20 0.50
AURKB Q96GD4 1/20 0.50
MAP4K5 Q9Y4K4 1/20 0.50

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
SCHEMBL6585407 1.00 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL11175120 0.82 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4587383 0.81 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4913956 0.81 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860326 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL4915403 0.77 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860433 0.76 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL11083061 0.76 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1387655 0.76 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAP4K4
SCHEMBL8860439 0.75 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993456-B1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES NOVARTIS AG (CH) 2004-09-08 EP disclosed
EP-1396491-A2 2-substituted 4,5-diaryl-imidazoles and their use as p38 MAP kinase inhibitors Novartis AG (CH) 2004-03-10 EP disclosed
US-6300347-B1 FOR THERAPY OF TUMOR NECROSIS FACTOR AND INTERLEUKIN-1 MEDIATED DISEASES SUCH AS RHEUMATOID ARTHRITIS AND DISEASES OF BONE METABOLISM, E.G. OSTEOPOROSIS NOVARTIS AG (CH) 2001-10-09 US disclosed
EP-0993456-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES Novartis AG (CH) 2000-04-19 EP disclosed
WO-1999001449-A1 2-SUBSTITUTED 4,5-DIARYL IMIDAZOLES NOVARTIS AG (CH) 1999-01-14 WO disclosed