SCHEMBL4551652

SCHEMBL4551652

Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.53
PLAU P00749 1/20 0.47
DDR2 Q16832 1/20 0.46
NTRK1 P04629 1/20 0.46
KDR P35968 1/20 0.46
PDE4B Q07343 1/20 0.46
HTR2A P28223 2/20 0.45
KCNH2 Q12809 1/20 0.45
MAPK14 Q16539 6/20 0.45
MAPK13 O15264 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
EPHX2 P34913 1/20 0.44
MET P08581 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRAF P15056 1/20 0.44

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
SCHEMBL4551653 0.91 DDR2 (0.55) NR3C1PLAUDDR2NTRK1KDR
SCHEMBL4551496 0.86 MAPK14 (0.51) PLAUKDRPDE4BMAPK14MAPK13
SCHEMBL5499408 0.83 DDR2 (0.54) NR3C1PLAUDDR2KDRHTR2A
SCHEMBL4551754 0.82 PLAU (0.46) PLAUPDE4BMAPK14MAPK13MAPK12
SCHEMBL4552257 0.80 PDE4B (0.44) PLAUPDE4BMAPK14MAPTSMN1; SMN2
SCHEMBL4551615 0.79 PDE4B (0.45) PLAUPDE4BMAPK14MAPTSMN1; SMN2
SCHEMBL4409060 0.79 MAPK14 (0.54) PLAUPDE4BMAPK14MAPK13MAPK12
SCHEMBL4551322 0.78 MAPK14 (0.61) HTR2AMAPK14METMAPTSMN1; SMN2
SCHEMBL4551497 0.77 MAPK14 (0.60) PLAUKDRMAPK14MAPK13MAPK12
SCHEMBL4551330 0.77 MAPK14 (0.60) HTR2AMAPK14METMAPTSMN1; 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 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