SCHEMBL370624

SCHEMBL370624

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(COC3CCCCO3)c3ccccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.62
MAPK12 P53778 8/20 0.58
TNF P01375 5/20 0.58
HCK P08631 5/20 0.58
SRC P12931 3/20 0.58
MAPK13 O15264 2/20 0.58
MAPK11 Q15759 2/20 0.58
DDR2 Q16832 2/20 0.58
ABL1 P00519 2/20 0.58
RAF1 P04049 2/20 0.58
LYN P07948 2/20 0.58
MAPK9 P45984 2/20 0.58
CIT O14578 1/20 0.58
MUSK O15146 1/20 0.58
MAP3K7 O43318 1/20 0.58
RIPK2 O43353 1/20 0.58
STK10 O94804 1/20 0.58
MAP4K4 O95819 1/20 0.58
CHEK2 O96017 1/20 0.58
EGFR P00533 1/20 0.58

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
SCHEMBL299835 0.91 MAPK14 (0.68) MAPK14MAPK12TNFHCKSRC
SCHEMBL28465474 0.87 MAPK14 (0.62) MAPK14MAPK12TNFHCKSRC
SCHEMBL297067 0.86 MAPK14 (0.55) MAPK14MAPK12TNFHCKSRC
SCHEMBL20876951 0.86 MAPK14 (0.55) MAPK14MAPK12TNFHCKSRC
SCHEMBL296076 0.82 MAPK14 (0.53) MAPK14MAPK12TNFHCKSRC
SCHEMBL28458630 0.80 MAPK14 (0.78) MAPK14MAPK12TNFHCKSRC
SCHEMBL295639 0.80 MAPK14 (0.82) MAPK14MAPK12TNFHCKSRC
SCHEMBL29593440 0.80 MAPK14 (0.82) MAPK14MAPK12TNFHCKSRC
SCHEMBL28458603 0.77 MAPK14 (0.69) MAPK14MAPK12TNFHCKSRC
SCHEMBL29594339 0.77 MAPK14 (0.79) MAPK14MAPK12TNFHCKSRC

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
EP-1147104-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2012-03-14 EP disclosed