SCHEMBL6676531

SCHEMBL6676531

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(-c2cnc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.58
ABL1 P00519 3/20 0.56
RAF1 P04049 3/20 0.56
LYN P07948 3/20 0.56
MAPK9 P45984 3/20 0.56
SRC P12931 2/20 0.56
EGFR P00533 2/20 0.51
BRAF P15056 2/20 0.51
EPHA2 P29317 2/20 0.51
EPHA3 P29320 2/20 0.51
AKT1 P31749 1/20 0.51
TNF P01375 6/20 0.44
MAPK12 P53778 3/20 0.44
MAPK13 O15264 2/20 0.44
MAPK11 Q15759 2/20 0.44
HCK P08631 2/20 0.44
DDR2 Q16832 2/20 0.44
CIT O14578 1/20 0.44
MUSK O15146 1/20 0.44
MAP3K7 O43318 1/20 0.44

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
SCHEMBL6261564 0.87 MAPK14 (0.52) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6676634 0.85 MAPK14 (0.49) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6263852 0.85 ABL1 (0.51) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6573925 0.85 MAPK14 (0.51) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6165706 0.82 MAPK14 (0.71) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091692 0.82 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6257013 0.80 MAPK14 (0.53) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091873 0.80 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087013 0.79 ABL1 (0.85) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL7855430 0.79 MAPK14 (0.54) MAPK14ABL1RAF1LYNMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 EP disclosed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed