SCHEMBL5619786

SCHEMBL5619786

Cc1nc2c(C)c(NC(=O)Nc3ccc(C#CCOC4CCCOC4)c4ccccc34)cc(C(C)(C)C)c2o1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.32
GRM5 P41594 1/20 0.32
GSK3A P49840 2/20 0.31
ABL1 P00519 3/20 0.31
RAF1 P04049 3/20 0.31
LYN P07948 3/20 0.31
MAPK9 P45984 3/20 0.31
SRC P12931 2/20 0.31
EGFR P00533 2/20 0.30
BRAF P15056 2/20 0.30
EPHA2 P29317 2/20 0.30
EPHA3 P29320 2/20 0.30
CIT O14578 1/20 0.30
MUSK O15146 1/20 0.30
MAPK13 O15264 1/20 0.30
MAP3K7 O43318 1/20 0.30
RIPK2 O43353 1/20 0.30
STK10 O94804 1/20 0.30
MAP4K4 O95819 1/20 0.30
CHEK2 O96017 1/20 0.30

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
SCHEMBL14459367 0.88 GCK (0.33) MAPK14GRM5
SCHEMBL5619598 0.74 GSK3A (0.41) MAPK14GRM5GSK3AABL1RAF1
SCHEMBL5619805 0.73 MAPK14 (0.43) MAPK14GSK3AABL1RAF1LYN
SCHEMBL5379421 0.71 MAPK14 (0.62) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6165074 0.66 MAPK14 (0.44) MAPK14GRM5RAF1
SCHEMBL5618849 0.65 MAPK14 (0.38) MAPK14GRM5GSK3AABL1RAF1
SCHEMBL7707024 0.65 MAPK14 (0.39) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL297067 0.64 MAPK14 (0.55) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6574700 0.63 MAPK14 (0.36) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL6163971 0.63 MAPK14 (0.51) MAPK14GRM5RAF1

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
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed