SCHEMBL6163971

SCHEMBL6163971

CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(C#CCOC2CCCCO2)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.51
GCK P35557 1/20 0.35
RAF1 P04049 2/20 0.34
EP300 Q09472 1/20 0.34
CREBBP Q92793 1/20 0.34
GRM5 P41594 1/20 0.33
RORC P51449 2/20 0.31

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
SCHEMBL6162928 0.87 MAPK14 (0.51) MAPK14RAF1
SCHEMBL6164680 0.84 MAPK14 (0.43) MAPK14GCKRAF1EP300CREBBP
SCHEMBL5618849 0.80 MAPK14 (0.38) MAPK14GCKRAF1EP300CREBBP
SCHEMBL14459299 0.79 GCK (0.37) GCKEP300CREBBPGRM5RORC
SCHEMBL6165074 0.79 MAPK14 (0.44) MAPK14GCKRAF1EP300CREBBP
SCHEMBL5619598 0.77 GSK3A (0.41) MAPK14GCKRAF1GRM5
SCHEMBL14459367 0.75 GCK (0.33) MAPK14GCKEP300CREBBPGRM5
SCHEMBL297067 0.75 MAPK14 (0.55) MAPK14RAF1
SCHEMBL6574700 0.74 MAPK14 (0.36) MAPK14GCKRAF1
SCHEMBL7707024 0.73 MAPK14 (0.39) 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