SCHEMBL6161090

SCHEMBL6161090

CC(=O)NCc1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccncc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.47
HCK P08631 12/20 0.47
MAPK12 P53778 12/20 0.47
SRC P12931 6/20 0.47
TNF P01375 1/20 0.46
SYK P43405 3/20 0.42
GSK3A P49840 3/20 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
SCHEMBL6163117 0.83 RAF1 (0.56) MAPK14MAPK12
SCHEMBL6162134 0.83 MAPK14 (0.52) MAPK14HCKMAPK12SRCTNF
SCHEMBL6162950 0.80 MAPK14 (0.46) MAPK14HCKMAPK12SRCTNF
SCHEMBL7840096 0.77 MAPK14 (0.38) MAPK14HCKMAPK12SRCTNF
SCHEMBL7665705 0.77 MAPK14 (0.50) MAPK14HCKMAPK12SRCTNF
SCHEMBL6168176 0.76 MAPK14 (0.38) MAPK14HCKMAPK12SRCTNF
SCHEMBL6164616 0.75 MAPK14 (0.58) MAPK14HCKMAPK12TNF
SCHEMBL6164609 0.74 MAPK14 (0.53) MAPK14HCKMAPK12SRCTNF
SCHEMBL5373685 0.74 MAPK14 (0.48) MAPK14HCKMAPK12SRCTNF
SCHEMBL6166487 0.73 MAPK14 (0.60) MAPK14HCKMAPK12SRCTNF

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