SCHEMBL4586656

SCHEMBL4586656

FC(F)(F)c1cccc(-c2nc(CCCN3CCOCC3)[nH]c2-c2ccncc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.61
MAPK11 Q15759 6/20 0.61
MAPK13 O15264 5/20 0.61
MAPK12 P53778 5/20 0.61
RAF1 P04049 1/20 0.53
MAPK9 P45984 1/20 0.53
CTSK P43235 1/20 0.52
KCNH2 Q12809 1/20 0.52
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
BRAF P15056 1/20 0.45
TRPV4 Q9HBA0 3/20 0.45
AR P10275 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL4585778 0.92 MAPK13 (0.49) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4585076 0.89 MAPK13 (0.57) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4584583 0.86 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4584568 0.83 MAPK14 (0.61) MAPK14MAPK11MAPK13MAPK12BRAF
SCHEMBL8860384 0.82 BRAF (0.44) MAPK14MAPK11MAPK13MAPK12BRAF
SCHEMBL4585385 0.81 ALOX5 (0.62) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4586325 0.81 MAPK13 (0.58) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL4585395 0.79 ALOX5 (0.61) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL4584739 0.76 MAPK13 (1.00) MAPK14MAPK11MAPK13MAPK12TRPV4
SCHEMBL1387629 0.75 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12RAF1

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-1545535-A4 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC (US) 2008-06-04 EP disclosed
EP-1545535-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2005-06-29 EP disclosed
WO-2004021988-A2 TREATMENT OF PAIN BY INHIBITION OF P38 MAP KINASE SCIOS INC. (US) 2004-03-18 WO disclosed
US-5670527-A CYTOKINE INHIBITORS USEFUL IN TREATING ASTHMA, OSTEOPOROSIS, ARTHRITIS, INFLAMMATION, SEPSIS, CARDIOVASCULAR DISORDERS, DIABETES, MULTIPLE SCLEROSIS, SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-09-23 US disclosed