SCHEMBL5253302

SCHEMBL5253302

CN(c1nc(-c2ccccc2Cl)c2ccc(=O)n(-c3ccccc3Cl)c2n1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.47
MAPK13 O15264 7/20 0.47
MAPK12 P53778 7/20 0.47
MAPK11 Q15759 7/20 0.47
MAT2A P31153 6/20 0.38
PTPN11 Q06124 1/20 0.35
CYP1A2 P05177 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HCAR1 Q9BXC0 1/20 0.32

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
SCHEMBL2945192 0.83 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11CHRNB2
SCHEMBL2945196 0.82 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11CHRNB2
SCHEMBL1066845 0.79 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL5257300 0.73 RXFP1 (0.36) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL1061199 0.73 MAT2A (0.44) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL1065129 0.73 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL2942597 0.72 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1065189 0.72 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL1060298 0.71 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11MAT2A
SCHEMBL1064632 0.70 MAT2A (0.52) MAPK14MAPK13MAPK12MAPK11MAT2A

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-1333833-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-10-24 EP disclosed
EP-1333833-A2 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2003-08-13 EP disclosed
WO-2002059083-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2002-08-01 WO disclosed