SCHEMBL7747142

SCHEMBL7747142

FC(F)(F)c1cccc(-c2nc(N3CCCCC3)[nH]c2-c2ccnc(NCCc3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.59
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
DRD2 P14416 1/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 1/20 0.46

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
SCHEMBL7743195 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7743194 0.83 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7748832 0.76 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7748833 0.76 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7498398 0.75 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL7743202 0.75 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7750391 0.74 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6950337 0.73 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL7747154 0.73 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7747157 0.73 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001022965-A1 SUBSTITUTED IMIDAZOLES HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-04-05 WO disclosed