SCHEMBL6153496

SCHEMBL6153496

CCOc1ccc(C2(C)CC2)cc1NC(=O)Nc1ccc(-c2cnc(CN3CCOCC3)nc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
ABL1 P00519 3/20 0.46
RAF1 P04049 3/20 0.46
LYN P07948 3/20 0.46
MAPK9 P45984 3/20 0.46
EGFR P00533 2/20 0.46
BRAF P15056 2/20 0.46
EPHA2 P29317 2/20 0.46
EPHA3 P29320 2/20 0.46
AKT1 P31749 1/20 0.46
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
SRC P12931 2/20 0.46
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TNF P01375 4/20 0.40
TP53 P04637 1/20 0.40
KDR P35968 2/20 0.39
CIT O14578 1/20 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
SCHEMBL4087098 0.93 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4097130 0.83 MAPK14 (0.60) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4093055 0.80 MAPK14 (0.70) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091692 0.79 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082232 0.79 MAPK14 (0.69) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082291 0.78 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092895 0.75 MAPK14 (0.68) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5618956 0.75 MAPK14 (0.75) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082071 0.75 MAPK14 (0.72) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6807373 0.74 MAPK14 (0.81) 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-1534282-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-06-01 EP disclosed
WO-2004004725-A2 PHARMACEUTICAL COMPOSITIONS OF ANTICHOLINERGICS AND P38 KINASE INHIBITORS IN THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-15 WO disclosed