SCHEMBL4551653

SCHEMBL4551653

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.55
MAPK14 Q16539 7/20 0.54
NR3C1 P04150 1/20 0.53
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
KDR P35968 3/20 0.49
RAF1 P04049 3/20 0.49
BRAF P15056 2/20 0.49
PLAU P00749 1/20 0.49
HTR2A P28223 1/20 0.47
FLT3 P36888 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NTRK1 P04629 1/20 0.46
AURKA O14965 1/20 0.46
PDE4B Q07343 1/20 0.46

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
SCHEMBL5499408 0.92 DDR2 (0.54) DDR2MAPK14NR3C1MAPK13MAPK12
SCHEMBL4551652 0.91 NR3C1 (0.53) DDR2MAPK14NR3C1MAPK13MAPK12
SCHEMBL4409060 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4551497 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11KDR
SCHEMBL4411010 0.85 MAPK14 (0.73) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4418530 0.84 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4417663 0.84 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4551755 0.82 PLAU (0.48) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5484374 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4409138 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11RAF1

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-2035005-A2 THERAPY USING CYTOKINE INHIBITORS Kemia, INC. (US) 2009-03-18 EP disclosed
WO-2007146712-A2 THERAPY USING CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-12-21 WO disclosed
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed