SCHEMBL6166487

SCHEMBL6166487

COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(OCc2ccncc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.60
RAF1 P04049 2/20 0.50
HCK P08631 9/20 0.47
MAPK12 P53778 9/20 0.47
TNF P01375 1/20 0.47
SRC P12931 2/20 0.47

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
SCHEMBL6162634 0.91 MAPK14 (0.58) MAPK14RAF1HCKMAPK12TNF
SCHEMBL6162480 0.90 MAPK14 (0.59) MAPK14HCKMAPK12TNFSRC
SCHEMBL6162316 0.85 MAPK14 (0.61) MAPK14RAF1HCKMAPK12TNF
SCHEMBL6161327 0.81 MAPK14 (0.61) MAPK14RAF1HCKMAPK12TNF
SCHEMBL7830130 0.81 MAPK14 (0.56) MAPK14RAF1HCKMAPK12TNF
SCHEMBL6160912 0.81 MAPK14 (0.56) MAPK14HCKMAPK12TNF
SCHEMBL6164164 0.81 MAPK14 (0.58) MAPK14RAF1HCKMAPK12TNF
SCHEMBL7665705 0.80 MAPK14 (0.50) MAPK14RAF1HCKMAPK12TNF
SCHEMBL6163117 0.80 RAF1 (0.56) MAPK14RAF1MAPK12
SCHEMBL6162950 0.79 MAPK14 (0.46) MAPK14RAF1HCKMAPK12TNF

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 7 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 claimed
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 claimed
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