SCHEMBL4551616

SCHEMBL4551616

Cc1ncc(NC(=O)c2cc(F)cc(N3CCOCC3)c2)cc1C(=O)Nc1ccc(NC2CCOCC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.49
RAF1 P04049 4/20 0.46
BRAF P15056 4/20 0.46
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
MAPK13 O15264 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK11 Q15759 1/20 0.45
PDE4B Q07343 1/20 0.45
PLAU P00749 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
SCHEMBL14534471 0.98 MAPK14 (0.50) MAPK14RAF1BRAFKCNQ3KCNQ2
SCHEMBL14534694 0.96 MAPK14 (0.45) MAPK14RAF1BRAFKCNQ3KCNQ2
SCHEMBL4551773 0.95 MAPK14 (0.45) MAPK14RAF1BRAFKCNQ3KCNQ2
SCHEMBL4551615 0.90 PDE4B (0.45) MAPK14RAF1BRAFKCNQ3KCNQ2
SCHEMBL4552127 0.90 KCNQ3 (0.51) MAPK14KCNQ3KCNQ2
SCHEMBL5490015 0.90 RAF1 (0.52) RAF1BRAF
SCHEMBL4552138 0.89 KCNQ3 (0.50) MAPK14KCNQ3KCNQ2
SCHEMBL5487361 0.89 MAPK14 (0.47) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4408418 0.88 CRHR1 (0.48) MAPK14RAF1BRAFMAPK13MAPK12
SCHEMBL4409138 0.88 MAPK14 (0.50) MAPK14RAF1BRAFMAPK13MAPK12

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 4 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
WO-2007056016-A2 BISAMIDE CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-05-18 WO disclosed