SCHEMBL12492667

SCHEMBL12492667

CC(C)Nc1cccn2c(-c3ccnc(NC4CCC(O)CC4)n3)cnc12

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 15/20 0.64
MAPK8 P45983 12/20 0.64
MAPK10 P53779 5/20 0.52
FLT3 P36888 3/20 0.49
IRAK4 Q9NWZ3 2/20 0.49
CDK2 P24941 2/20 0.48
JUN P05412 1/20 0.48
MAP2K7 O14733 1/20 0.45
IKBKB O14920 1/20 0.45
MAPK13 O15264 1/20 0.45
MAP2K4 P45985 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
GSK3B P49841 1/20 0.45
MAP2K6 P52564 1/20 0.45
MAPK12 P53778 1/20 0.45
MAPK14 Q16539 1/20 0.45

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
SCHEMBL12273168 0.86 FLT3 (0.68) MAPK9MAPK8MAPK10FLT3
SCHEMBL12522892 0.86 FLT3 (0.68) MAPK9MAPK8MAPK10FLT3
SCHEMBL183898 0.79 MAPK8 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL7888011 0.79 MAPK8 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL7884779 0.78 MAPK9 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL183227 0.78 MAPK9 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL12272958 0.75 FLT3 (0.69) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL7884533 0.74 MAPK9 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL182900 0.74 MAPK9 (1.00) MAPK9MAPK8MAPK10FLT3IRAK4
SCHEMBL12272756 0.73 FLT3 (0.81) MAPK9MAPK8FLT3

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-2686319-A1 IMIDAZO PYRAZINES F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 EP disclosed
WO-2012123470-A1 IMIDAZO PYRAZINES F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed