SCHEMBL5286063

SCHEMBL5286063

O=C1NCCc2cc(Nc3ccc(F)cc3F)ccc21

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.62
GRM5 P41594 2/20 0.55
PARP10 Q53GL7 2/20 0.54
PARP1 P09874 1/20 0.54
MKNK1 Q9BUB5 1/20 0.53
PARP11 Q9NR21 1/20 0.52

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
SCHEMBL794160 0.80 PARP10 (0.74) GRM5PARP10PARP1PARP11
SCHEMBL5284500 0.79 MAPK14 (0.65) MAPK14
SCHEMBL16573735 0.77 MAPK14 (1.00) MAPK14
SCHEMBL8151102 0.77 PARP10 (0.70) GRM5PARP10PARP1PARP11
SCHEMBL5281273 0.75 MAPK14 (0.60) MAPK14
SCHEMBL2320342 0.74 MAPK14 (1.00) MAPK14
SCHEMBL2315002 0.73 MAPK14 (1.00) MAPK14
SCHEMBL24783703 0.73 PARP10 (0.63) GRM5PARP10PARP1MKNK1PARP11
SCHEMBL552293 0.73 PARP10 (0.58) GRM5PARP10PARP1MKNK1PARP11
SCHEMBL5284312 0.72 MAPK14 (0.57) MAPK14

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-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed