SCHEMBL13650358

SCHEMBL13650358

CBc1cnc2c(c1)NC(=O)C21CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.44
RAF1 P04049 1/20 0.44
MAP3K11 Q16584 1/20 0.34
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
PGR P06401 6/20 0.33

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
SCHEMBL2076566 0.76 MAPK14 (0.41) MAPK14RAF1MAP3K11PDE4APDE4B
SCHEMBL25093213 0.73 MAPK14 (0.39) MAPK14RAF1MAP3K11PDE4APDE4B
SCHEMBL13650344 0.73 MAPK14 (0.45) MAPK14RAF1PGR
SCHEMBL17436172 0.71 MAPK14 (0.37) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL25093202 0.71 MAPK14 (0.40) MAPK14RAF1MAP3K11
SCHEMBL5976584 0.70 MAPK14 (0.51) MAPK14RAF1
SCHEMBL1224129 0.70 MAPK14 (0.38) MAPK14RAF1
SCHEMBL1223473 0.68 MAPK14 (0.36) MAPK14RAF1
SCHEMBL1223346 0.67 MAPK14 (0.35) MAPK14RAF1PDE4APDE4BPDE4C
SCHEMBL25241582 0.66 PGR (0.39) MAPK14RAF1PDE4APDE4BPDE4C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124692-A1 NEW SUBSTITUTED SPIRO[CYCLOALKYL-1,3'-INDOL]-2'(1'H)-ONE DERIVATIVES AND THEIR USE AS P38 MITOGEN-ACTIVATED KINASE INHIBITORS. ALMIRALL, S.A. (ES) 2009-10-15 WO disclosed