SCHEMBL4585778

SCHEMBL4585778

FC(F)(F)c1cc(-c2nc(CCCN3CCOCC3)[nH]c2-c2ccncc2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.49
MAPK12 P53778 9/20 0.49
MAPK11 Q15759 9/20 0.49
MAPK14 Q16539 9/20 0.49
BRAF P15056 2/20 0.45
ALOX5 P09917 1/20 0.44
CTSK P43235 1/20 0.44
KCNH2 Q12809 1/20 0.44
RAF1 P04049 2/20 0.41
MAPK9 P45984 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GCGR P47871 1/20 0.39
CYP3A4 P08684 1/20 0.37

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
SCHEMBL4585076 0.92 MAPK13 (0.57) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4586656 0.92 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4585385 0.84 ALOX5 (0.62) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4586325 0.81 MAPK13 (0.58) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4585395 0.81 ALOX5 (0.61) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4584583 0.80 MAPK14 (0.59) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4584568 0.78 MAPK14 (0.61) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL4585066 0.77 ALOX5 (0.64) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL8860384 0.77 BRAF (0.44) MAPK13MAPK12MAPK11MAPK14BRAF
SCHEMBL8860156 0.76 BRAF (0.41) MAPK13MAPK12MAPK11MAPK14BRAF

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-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 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