SCHEMBL6163426

SCHEMBL6163426

COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(CN2CCOCC2)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.59
RAF1 P04049 4/20 0.49
KDR P35968 1/20 0.44
ABL1 P00519 2/20 0.44
LYN P07948 2/20 0.44
MAPK9 P45984 2/20 0.44
EGFR P00533 1/20 0.44
BRAF P15056 1/20 0.44
EPHA2 P29317 1/20 0.44
EPHA3 P29320 1/20 0.44
AKT1 P31749 1/20 0.44
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
TNF P01375 1/20 0.43
SRC P12931 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
SCHEMBL6163450 0.85 MAPK14 (0.68) MAPK14RAF1KDRABL1LYN
SCHEMBL6165331 0.84 MAPK14 (0.54) MAPK14RAF1KDRABL1LYN
SCHEMBL6166925 0.84 MAPK14 (0.54) MAPK14RAF1KDRABL1LYN
SCHEMBL6160851 0.81 MAPK14 (0.50) MAPK14RAF1KDRABL1LYN
SCHEMBL6162128 0.81 RAF1 (0.55) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6162311 0.80 MAPK14 (0.58) MAPK14RAF1KDRABL1LYN
SCHEMBL6162657 0.77 MAPK14 (0.56) MAPK14RAF1KDRABL1LYN
SCHEMBL6162316 0.77 MAPK14 (0.61) MAPK14RAF1BRAFMAPK12TNF
SCHEMBL6164974 0.76 MAPK14 (0.67) MAPK14RAF1KDRABL1LYN
SCHEMBL3241506 0.75 MAPK14 (1.00) MAPK14RAF1

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 5 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
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