SCHEMBL6165058

SCHEMBL6165058

CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(NCc2ccncc2)c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.55
RAF1 P04049 6/20 0.53
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
FLT1 P17948 3/20 0.41
KDR P35968 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CCR8 P51685 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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 0.85 MAPK14 (0.52) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6164609 0.83 MAPK14 (0.53) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6165061 0.81 MAPK14 (0.51) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6161474 0.79 MAPK14 (0.63) MAPK14RAF1MAPK12FLT1KDR
SCHEMBL6167100 0.76 RAF1 (0.57) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163117 0.75 RAF1 (0.56) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6164616 0.74 MAPK14 (0.58) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL6163413 0.74 MAPK14 (0.53) MAPK14RAF1MAPK12FLT1KDR
SCHEMBL6162064 0.73 MAPK14 (0.52) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL3242753 0.71 MAPK14 (1.00) MAPK14RAF1MAPK13MAPK12MAPK11

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