SCHEMBL6164609

SCHEMBL6164609

CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCCc2ccncc2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.53
MAPK12 P53778 9/20 0.53
HCK P08631 7/20 0.53
TNF P01375 1/20 0.53
RAF1 P04049 2/20 0.47
MAPK13 O15264 1/20 0.41
MAPK11 Q15759 1/20 0.41
SRC P12931 1/20 0.41
SYK P43405 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL6162134 0.91 MAPK14 (0.52) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6164616 0.86 MAPK14 (0.58) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6165058 0.83 MAPK14 (0.55) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6162064 0.83 MAPK14 (0.52) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6160912 0.82 MAPK14 (0.56) MAPK14MAPK12HCKTNF
SCHEMBL6163117 0.81 RAF1 (0.56) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6163203 0.79 MAPK14 (0.47) MAPK14MAPK12HCKTNFRAF1
SCHEMBL7846308 0.79 MAPK14 (0.46) MAPK14MAPK12TNFRAF1MAPK13
SCHEMBL6162643 0.79 MAPK14 (0.64) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6163502 0.78 TNF (0.60) MAPK14MAPK12HCKTNFRAF1

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