SCHEMBL7684243

SCHEMBL7684243

COc1ccc(C(C)(C)c2ccccc2)cc1NC(=O)Nc1ccc(-c2ccc(CCc3ccncc3)nc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.58
ABL1 P00519 2/20 0.44
RAF1 P04049 2/20 0.44
LYN P07948 2/20 0.44
MAPK9 P45984 2/20 0.44
EGFR P00533 2/20 0.44
BRAF P15056 1/20 0.44
EPHA2 P29317 1/20 0.44
EPHA3 P29320 1/20 0.44
AKT1 P31749 1/20 0.44
MAPK12 P53778 2/20 0.42
TNF P01375 1/20 0.42
HCK P08631 1/20 0.42
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL5383745 0.88 MAPK14 (0.46) MAPK14MAPK12TNFHCKMAPT
SCHEMBL4096218 0.81 MAPK14 (0.87) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087240 0.80 MAPK14 (0.73) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL7681210 0.79 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082250 0.77 MAPK14 (0.61) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6674058 0.77 MAPK14 (0.60) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4094268 0.75 MAPK14 (0.66) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL13527349 0.75 MAPK14 (0.85) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6051674 0.74 MAPK14 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081824 0.74 MAPK14 (0.84) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed