SCHEMBL6162638

SCHEMBL6162638

CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C#CC(C)OC2CCCCO2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.45
RAF1 P04049 11/20 0.43
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL6164680 0.87 MAPK14 (0.43) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6162928 0.84 MAPK14 (0.51) MAPK14RAF1
SCHEMBL6163139 0.80 MAPK14 (0.44) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6256613 0.75 MAPK14 (0.47) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL296076 0.75 MAPK14 (0.53) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6256612 0.74 MAPK14 (0.34) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163203 0.70 MAPK14 (0.47) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163971 0.70 MAPK14 (0.51) MAPK14RAF1
SCHEMBL6164808 0.67 MAPK14 (0.58) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6162643 0.67 MAPK14 (0.64) 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 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