SCHEMBL6168619

SCHEMBL6168619

O=C(Nc1ccc2[nH]c(CCc3ccncc3)cc2c1)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.65
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPT P10636 1/20 0.48
BRAF P15056 2/20 0.48
HTT P42858 1/20 0.47
FLT1 P17948 1/20 0.46
KDR P35968 1/20 0.46
RAF1 P04049 1/20 0.45
PLAU P00749 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 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
SCHEMBL6167141 0.93 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6167786 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6167060 0.81 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6348042 0.80 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6348418 0.79 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6166915 0.77 NPC1 (0.58) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL6165669 0.74 ESR1 (0.60) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL4419929 0.73 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4831633 0.71 BRAF (0.56) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL23964161 0.70 MAPT (0.52) MAPTTP53SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 WO disclosed