SCHEMBL6666488

SCHEMBL6666488

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3[nH]c(CN4CCOCC4)nc3c2)c2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.74
ABL1 P00519 3/20 0.56
RAF1 P04049 3/20 0.56
LYN P07948 3/20 0.56
MAPK9 P45984 3/20 0.56
EGFR P00533 2/20 0.56
BRAF P15056 2/20 0.56
EPHA2 P29317 2/20 0.56
EPHA3 P29320 2/20 0.56
AKT1 P31749 1/20 0.56
MAPK13 O15264 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
SRC P12931 5/20 0.47
KDR P35968 2/20 0.45
GSK3A P49840 4/20 0.44
TNF P01375 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SYK P43405 3/20 0.42
CIT O14578 1/20 0.41

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
SCHEMBL6879984 0.94 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6637374 0.92 MAPK14 (0.63) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091692 0.86 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092378 0.85 MAPK14 (1.00) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6636953 0.83 MAPK14 (0.54) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6872586 0.82 MAPK14 (0.71) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6637183 0.82 MAPK14 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6811590 0.81 MAPK14 (0.71) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6637081 0.81 MAPK14 (0.56) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL7687833 0.80 MAPK14 (0.74) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US claimed
EP-1438048-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-21 EP claimed
WO-2003032989-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-24 WO claimed
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed