SCHEMBL7075425

SCHEMBL7075425

Cn1c(CCNC(=O)OCc2ccccc2)nc(-c2cccc(C(F)(F)F)c2)c1-c1ccnc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.42
MGLL Q99685 1/20 0.40
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPK11 Q15759 2/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
BTK Q06187 1/20 0.39
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
TPSAB1 Q15661 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL6947271 0.88 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8011517 0.76 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4025102 0.76 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4031135 0.75 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8603751 0.75 BTK (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8604095 0.75 BTK (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL6950337 0.73 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4027239 0.71 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4035352 0.70 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL8605126 0.69 BTK (0.46) 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 4 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
US-6291457-B1 SUBSTITUTED IMIDAZOLE COMPOUNDS MERCK & CO., INC. 2001-09-18 US disclosed
WO-2001001988-A1 COMPOUNDS HAVING CYTOKINE INHIBITORY ACTIVITY MERCK & CO., INC. (US) 2001-01-11 WO disclosed