SCHEMBL7707024

SCHEMBL7707024

Cc1ccc(-n2ncc(C(C)(C)C)c2NC(=O)Nc2ccc(C#CCOC3CCCCO3)c3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.39
ABL1 P00519 2/20 0.39
RAF1 P04049 2/20 0.39
LYN P07948 2/20 0.39
SRC P12931 2/20 0.39
MAPK9 P45984 2/20 0.39
MAPK12 P53778 9/20 0.38
TNF P01375 5/20 0.38
HCK P08631 5/20 0.38
MAPK13 O15264 3/20 0.38
MAPK11 Q15759 3/20 0.38
DDR2 Q16832 2/20 0.38
CIT O14578 1/20 0.38
MUSK O15146 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
CHEK2 O96017 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL297067 0.85 MAPK14 (0.55) MAPK14ABL1RAF1LYNSRC
SCHEMBL6411778 0.79 MAPK14 (0.41) MAPK14ABL1RAF1LYNSRC
SCHEMBL6574700 0.77 MAPK14 (0.36) MAPK14ABL1RAF1LYNSRC
SCHEMBL14459367 0.77 GCK (0.33) MAPK14
SCHEMBL14459299 0.76 GCK (0.37)
SCHEMBL5618849 0.76 MAPK14 (0.38) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL5619598 0.75 GSK3A (0.41) MAPK14ABL1RAF1LYNSRC
SCHEMBL6165074 0.74 MAPK14 (0.44) MAPK14RAF1
SCHEMBL7677125 0.74 MAPK14 (0.52) MAPK14ABL1RAF1LYNSRC
SCHEMBL6163971 0.73 MAPK14 (0.51) MAPK14RAF1

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-6372773-B1 TREATMENT OF INFLAMMATION, ARTHRITIS WITH UREA OR THIOUREA HETEROCYCLES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-04-16 US disclosed