SCHEMBL6161478

SCHEMBL6161478

CNC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1ccc(N(C)c2ccncc2)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.61
GAA P10253 1/20 0.44
RAF1 P04049 3/20 0.38
BRAF P15056 4/20 0.36
SYK P43405 1/20 0.33

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
SCHEMBL6161474 0.81 MAPK14 (0.63) MAPK14RAF1
SCHEMBL6165061 0.80 MAPK14 (0.51) MAPK14GAARAF1
SCHEMBL6162480 0.79 MAPK14 (0.59) MAPK14BRAF
SCHEMBL6160912 0.77 MAPK14 (0.56) MAPK14
SCHEMBL3242741 0.76 MAPK14 (1.00) MAPK14RAF1
SCHEMBL6163420 0.73 MAPK14 (0.51) MAPK14GAARAF1BRAFSYK
SCHEMBL6162316 0.69 MAPK14 (0.61) MAPK14RAF1BRAF
SCHEMBL6166487 0.69 MAPK14 (0.60) MAPK14RAF1
SCHEMBL3241540 0.68 MAPK14 (1.00) MAPK14RAF1
SCHEMBL6162921 0.68 MAPK14 (0.56) MAPK14

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