SCHEMBL4551494

SCHEMBL4551494

Cc1ccc(NC(=O)c2cc(F)cc(N3CCCOCC3)c2)cc1-c1cc(C(=O)NCc2cccnc2)on1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
RAF1 P04049 7/20 0.51
BRAF P15056 7/20 0.51
NAMPT P43490 1/20 0.44
TP53 P04637 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL5603999 0.98 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4410223 0.96 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4411272 0.95 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4551493 0.90 NAMPT (0.43) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4541475 0.90 RAF1 (0.56) MAPK14RAF1BRAF
SCHEMBL4413471 0.89 RAF1 (0.58) MAPK14RAF1BRAF
SCHEMBL4551597 0.89 MAPK14 (0.60) MAPK14RAF1BRAFNAMPTTP53
SCHEMBL14473104 0.88 RAF1 (0.52) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL5603996 0.88 NAMPT (0.45) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL4408316 0.88 MAPK14 (0.49) MAPK14RAF1BRAFNAMPTTP53

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 2 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