SCHEMBL6639725

SCHEMBL6639725

Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccnc(NCCc4ccccn4)n3)c3ccccc23)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.83
MAPK12 P53778 12/20 0.83
HCK P08631 12/20 0.67
TNF P01375 3/20 0.67
SRC P12931 2/20 0.61
CIT O14578 1/20 0.61
MUSK O15146 1/20 0.61
MAPK13 O15264 1/20 0.61
MAP3K7 O43318 1/20 0.61
RIPK2 O43353 1/20 0.61
STK10 O94804 1/20 0.61
MAP4K4 O95819 1/20 0.61
CHEK2 O96017 1/20 0.61
ABL1 P00519 1/20 0.61
EGFR P00533 1/20 0.61
RAF1 P04049 1/20 0.61
NTRK1 P04629 1/20 0.61
HSPB1 P04792 1/20 0.61
PRKCB P05771 1/20 0.61
LCK P06239 1/20 0.61

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
SCHEMBL295572 0.90 MAPK14 (0.78) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593459 0.90 MAPK14 (0.78) MAPK14MAPK12HCKTNFSRC
SCHEMBL4688788 0.87 MAPK14 (0.74) MAPK14MAPK12HCKTNFSRC
SCHEMBL4686594 0.85 MAPK14 (0.71) MAPK14MAPK12HCKTNFSRC
SCHEMBL6634380 0.83 MAPK14 (0.75) MAPK14MAPK12HCKTNFSRC
SCHEMBL295767 0.83 MAPK14 (0.68) MAPK14MAPK12HCKTNFSRC
SCHEMBL29594276 0.83 MAPK14 (0.68) MAPK14MAPK12HCKTNFSRC
SCHEMBL29593384 0.82 MAPK14 (0.69) MAPK14MAPK12HCKTNFSRC
SCHEMBL296333 0.82 MAPK14 (0.69) MAPK14MAPK12HCKTNFSRC
SCHEMBL6632893 0.82 MAPK14 (0.72) MAPK14MAPK12HCKTNFSRC

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-1480973-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-12-01 EP disclosed
WO-2003072569-A1 1,4-DISUBSTITUTED BENZOFUSED CYCLOALKYL UREA COMPOUNDS USEFUL IN TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 WO disclosed