SCHEMBL4565880

SCHEMBL4565880

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(N(C)C2CCCO2)nc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.44
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.43
PDE4B Q07343 1/20 0.43
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
DGAT1 O75907 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
SCHEMBL5487365 0.91 MAPK14 (0.46) MAPK14RAF1BRAFPDE4BMAPK13
SCHEMBL5484353 0.91 RAF1 (0.48) MAPK14RAF1BRAF
SCHEMBL4551789 0.87 PDE4B (0.37) MAPK14PDE4BDGAT1
SCHEMBL4551561 0.86 RAB9A (0.38) MAPK14PDE4B
SCHEMBL4551616 0.83 MAPK14 (0.49) MAPK14RAF1BRAFPDE4BMAPK13
SCHEMBL5485734 0.82 RAF1 (0.51) MAPK14RAF1BRAF
SCHEMBL5490159 0.82 PDE4B (0.40) MAPK14RAF1BRAFPDE4BDGAT1
SCHEMBL4565879 0.82 MAPK14 (0.47) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL14534471 0.82 MAPK14 (0.50) MAPK14RAF1BRAFPDE4BMAPK13
SCHEMBL14534694 0.80 MAPK14 (0.45) MAPK14RAF1BRAFPDE4BMAPK13

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