SCHEMBL7475701

SCHEMBL7475701

Cc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2nc(CN3CCOCC3)c[nH]2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.61
ABL1 P00519 3/20 0.53
RAF1 P04049 3/20 0.53
LYN P07948 3/20 0.53
MAPK9 P45984 3/20 0.53
EGFR P00533 2/20 0.53
BRAF P15056 2/20 0.53
EPHA2 P29317 2/20 0.53
EPHA3 P29320 2/20 0.53
AKT1 P31749 1/20 0.53
SRC P12931 2/20 0.51
TNF P01375 4/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
CIT O14578 1/20 0.41
MUSK O15146 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 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
SCHEMBL4091873 0.85 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4086203 0.82 MAPK14 (0.64) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL27580655 0.80 MAPK14 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4096572 0.79 MAPK14 (0.57) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4085454 0.78 MAPK14 (0.82) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087842 0.78 MAPK14 (0.79) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4098327 0.77 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4091678 0.77 MAPK14 (0.81) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082089 0.77 MAPK14 (0.77) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092806 0.77 MAPK14 (0.80) 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-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed