SCHEMBL1140469

SCHEMBL1140469

COc1cccc2c(=O)n(-c3cc(C(=O)NC4CC4)ccc3C)cnc12

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.61
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RPS6KA5 O75582 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPKAPK2 P49137 1/20 0.50
KCNH2 Q12809 1/20 0.50
MAPK11 Q15759 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
SCHEMBL1140187 0.89 MAPK14 (0.60) MAPK14
SCHEMBL1140284 0.83 MAPK14 (0.70) MAPK14
SCHEMBL1140594 0.82 MAPK14 (0.69) MAPK14
SCHEMBL1140517 0.82 MAPK14 (0.62) MAPK14
SCHEMBL1140155 0.80 MAPK14 (0.62) MAPK14
SCHEMBL1140549 0.80 MAPK14 (0.69) MAPK14
SCHEMBL3144145 0.80 MAPK14 (0.53) MAPK14HPGDHTTNPSR1RPS6KA5
SCHEMBL3145748 0.79 MAPK14 (0.48) MAPK14HPGDHTTNPSR1RPS6KA5
SCHEMBL4889085 0.79 MAPK14 (0.51) MAPK14NPSR1
SCHEMBL1140248 0.78 MAPK14 (0.64) MAPK14MAPKAPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682520-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-23 EP claimed
EP-1682520-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2006-07-26 EP disclosed
WO-2005042502-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-05-12 WO disclosed