SCHEMBL6274487

SCHEMBL6274487

CCN(C1C=C(c2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)nc3)c3ccccc23)CCC1)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.49
TNF P01375 7/20 0.49
SRC P12931 3/20 0.44
ABL1 P00519 2/20 0.44
RAF1 P04049 2/20 0.44
LYN P07948 2/20 0.44
MAPK9 P45984 2/20 0.44
MAPK12 P53778 8/20 0.43
MAPK13 O15264 2/20 0.42
MAPK11 Q15759 2/20 0.42
DDR2 Q16832 2/20 0.42
HCK P08631 4/20 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
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
EGFR P00533 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
SCHEMBL4088475 0.87 MAPK14 (0.53) MAPK14TNFSRCABL1RAF1
SCHEMBL5988889 0.85 TNF (0.33) MAPK14TNF
SCHEMBL7182315 0.84 MAPK14 (0.51) MAPK14TNFSRCABL1RAF1
SCHEMBL4081556 0.84 MAPK14 (0.53) MAPK14TNFSRCABL1RAF1
SCHEMBL4092259 0.82 MAPK14 (0.51) MAPK14TNFSRCABL1RAF1
SCHEMBL4095972 0.82 MAPK14 (0.51) MAPK14TNFSRCABL1RAF1
SCHEMBL4092852 0.82 MAPK14 (0.51) MAPK14TNFSRCABL1RAF1
SCHEMBL4082224 0.81 MAPK14 (0.52) MAPK14TNFSRCABL1RAF1
SCHEMBL4088478 0.80 MAPK14 (0.53) MAPK14TNFSRCABL1RAF1
SCHEMBL4096569 0.80 MAPK14 (0.53) MAPK14TNFSRCABL1RAF1

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-1545514-A1 ANTICOAGULANT AND FIBRINOLYTIC THERAPY USING P38 MAP KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-06-29 EP disclosed
WO-2004016267-A1 ANTICOAGULANT AND FIBRINOLYTIC THERAPY USING P38 MAP KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-02-26 WO disclosed