SCHEMBL6164616

SCHEMBL6164616

COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCc2ccncc2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.58
MAPK12 P53778 4/20 0.58
HCK P08631 3/20 0.58
TNF P01375 1/20 0.58
RAF1 P04049 13/20 0.54
MAPK13 O15264 1/20 0.54
MAPK11 Q15759 1/20 0.54

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
SCHEMBL6163117 0.91 RAF1 (0.56) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6164402 0.88 RAF1 (0.54) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6167100 0.87 RAF1 (0.57) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6164609 0.86 MAPK14 (0.53) MAPK14MAPK12HCKTNFRAF1
SCHEMBL7829896 0.86 RAF1 (0.52) MAPK14MAPK12RAF1MAPK13MAPK11
SCHEMBL6162559 0.83 MAPK14 (0.61) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6162310 0.83 MAPK14 (0.58) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6162134 0.82 MAPK14 (0.52) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6162634 0.81 MAPK14 (0.58) MAPK14MAPK12HCKTNFRAF1
SCHEMBL6164566 0.80 RAF1 (0.52) 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 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