SCHEMBL6166925

SCHEMBL6166925

COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C#CCN2CCOCC2)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.54
RAF1 P04049 4/20 0.46
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
TNF P01375 3/20 0.40
ABL1 P00519 2/20 0.40
EGFR P00533 2/20 0.40
LYN P07948 2/20 0.40
BRAF P15056 2/20 0.40
EPHA2 P29317 2/20 0.40
EPHA3 P29320 2/20 0.40
MAPK9 P45984 2/20 0.40
CIT O14578 1/20 0.40
MUSK O15146 1/20 0.40
MAP3K7 O43318 1/20 0.40
RIPK2 O43353 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL6163426 0.84 MAPK14 (0.59) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6165444 0.83 MAPK14 (0.47) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163007 0.82 RAF1 (0.51) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163450 0.81 MAPK14 (0.68) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6165331 0.81 MAPK14 (0.54) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL5619346 0.79 MAPK14 (0.48) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL294693 0.74 MAPK14 (0.72) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6162657 0.74 MAPK14 (0.56) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6162311 0.73 MAPK14 (0.58) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6164974 0.73 MAPK14 (0.67) MAPK14RAF1MAPK13MAPK12MAPK11

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 3 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 disclosed
US-6476023-B1 Aromatic heterocyclic compounds as anti-inflammatory agents BOEHRINGEN INGELHEIM PHARMACEUTICALS, INC. 2002-11-05 US 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