SCHEMBL6161581

SCHEMBL6161581

COC(=O)c1c(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc(C(C)(C)C)n1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.66
MAPK13 O15264 3/20 0.64
MAPK12 P53778 3/20 0.64
MAPK11 Q15759 3/20 0.64
TNF P01375 6/20 0.62
DDR2 Q16832 2/20 0.60
CIT O14578 1/20 0.60
MUSK O15146 1/20 0.60
MAP3K7 O43318 1/20 0.60
RIPK2 O43353 1/20 0.60
STK10 O94804 1/20 0.60
MAP4K4 O95819 1/20 0.60
CHEK2 O96017 1/20 0.60
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
RAF1 P04049 1/20 0.60
NTRK1 P04629 1/20 0.60
HSPB1 P04792 1/20 0.60
PRKCB P05771 1/20 0.60
LCK P06239 1/20 0.60

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
SCHEMBL6162858 0.89 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6167223 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6163450 0.83 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6162842 0.83 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5619149 0.82 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6165596 0.81 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL4085717 0.81 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL6161599 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL5255198 0.80 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11TNF
SCHEMBL29593532 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TNF

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP claimed
JP-2002539206-A 2002-11-19 JP claimed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US claimed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP claimed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-1163236-B1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2005-11-09 EP disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US disclosed
EP-1163236-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2001-12-19 EP disclosed
US-6297381-B1 INHIBIT THE RELEASE OF INFLAMMATORY CYTOKINES SUCH AS INTERLEUKIN-1 AND TUMOR NECROSIS FACTOR, UREAS OR THIOUREAS SUBSTITUTED BY A PYRROLE OR THIOPHENE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-10-02 US disclosed
WO-2000055152-A1 AROMATIC HETEROCYCLIC COMPOUNDS AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed