SCHEMBL6160851

SCHEMBL6160851

COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCOCC2)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.50
RAF1 P04049 5/20 0.50
KDR P35968 2/20 0.45
ABL1 P00519 3/20 0.45
LYN P07948 3/20 0.45
MAPK9 P45984 3/20 0.45
EGFR P00533 2/20 0.45
BRAF P15056 2/20 0.45
EPHA2 P29317 2/20 0.45
EPHA3 P29320 2/20 0.45
AKT1 P31749 1/20 0.45
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
TNF P01375 3/20 0.43
SRC P12931 2/20 0.42
CIT O14578 1/20 0.42
MUSK O15146 1/20 0.42
MAP3K7 O43318 1/20 0.42
RIPK2 O43353 1/20 0.42

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
SCHEMBL6163211 0.90 MAPK14 (0.59) MAPK14RAF1KDRABL1LYN
SCHEMBL6167223 0.84 MAPK14 (0.68) MAPK14RAF1KDRABL1LYN
SCHEMBL6165444 0.84 MAPK14 (0.47) MAPK14RAF1KDRABL1LYN
SCHEMBL6163086 0.84 MAPK14 (0.50) MAPK14RAF1KDRABL1LYN
SCHEMBL6162128 0.83 RAF1 (0.55) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163426 0.81 MAPK14 (0.59) MAPK14RAF1KDRABL1LYN
SCHEMBL6163825 0.78 MAPK14 (0.51) MAPK14RAF1MAPK13MAPK12TNF
SCHEMBL6163300 0.77 MAPK14 (0.49) MAPK14RAF1KDRABL1LYN
SCHEMBL6164102 0.74 MAPK14 (0.54) MAPK14RAF1KDRABL1LYN
SCHEMBL6166343 0.74 MAPK14 (0.52) MAPK14RAF1KDRABL1LYN

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