SCHEMBL7687833

SCHEMBL7687833

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCOCC3)cn2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.74
ABL1 P00519 3/20 0.55
RAF1 P04049 3/20 0.55
LYN P07948 3/20 0.55
MAPK9 P45984 3/20 0.55
EGFR P00533 2/20 0.55
BRAF P15056 2/20 0.55
EPHA2 P29317 2/20 0.55
EPHA3 P29320 2/20 0.55
AKT1 P31749 1/20 0.55
MAPK13 O15264 3/20 0.54
MAPK12 P53778 3/20 0.54
MAPK11 Q15759 3/20 0.54
GSK3A P49840 1/20 0.47
CHEK1 O14757 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TNF P01375 3/20 0.47
SRC P12931 3/20 0.46
KDR P35968 2/20 0.45
WNT3A P56704 2/20 0.45

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
SCHEMBL4092916 0.89 MAPK14 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091692 0.86 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6811590 0.85 MAPK14 (0.71) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092378 0.85 MAPK14 (1.00) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091601 0.84 MAPK14 (0.73) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5455309 0.83 MAPK14 (0.52) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5379156 0.83 MAPK14 (0.53) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6261564 0.82 MAPK14 (0.52) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6611341 0.82 ABL1 (0.56) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5619149 0.81 MAPK14 (0.78) 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