SCHEMBL6950337

SCHEMBL6950337

Cn1c(CCN)nc(-c2cccc(C(F)(F)F)c2)c1-c1ccnc(NCCc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.48
MAPK13 O15264 3/20 0.46
MAPK12 P53778 3/20 0.46
MAPK11 Q15759 3/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
DRD2 P14416 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GRK2 P25098 1/20 0.40
ACHE P22303 2/20 0.39

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
SCHEMBL6950332 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7979937 0.79 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6950335 0.78 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7498398 0.78 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7991937 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7994015 0.76 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7994010 0.76 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7993953 0.74 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7747142 0.73 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11DRD2
SCHEMBL7075425 0.73 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11RAF1

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-1196169-A4 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2003-04-02 EP disclosed
EP-1196169-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY Merck & Co., Inc. (US) 2002-04-17 EP disclosed
WO-2001001988-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-01-11 WO disclosed