SCHEMBL8053229

SCHEMBL8053229

O=C1OCCN1c1ccc(Nc2nccc(-c3cc(F)cc(N4CCCCC4)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.58
MAPK10 P53779 2/20 0.58
MAPK9 P45984 1/20 0.58
JAK2 O60674 14/20 0.50
MYLK4 Q86YV6 1/20 0.47
STK17A Q9UEE5 1/20 0.47
CAMK2D Q13557 1/20 0.46
JAK3 P52333 3/20 0.45
JAK1 P23458 2/20 0.45
TYK2 P29597 2/20 0.45
KCNH2 Q12809 1/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.44
NCOR1 O75376 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL3756024 0.93 MAPK8 (0.67) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3750610 0.80 JAK2 (0.72) MAPK8MAPK10MAPK9JAK2CAMK2D
SCHEMBL3760946 0.79 JAK2 (0.54) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL8055327 0.78 MAPK8 (0.68) MAPK8MAPK10MAPK9JAK2MYLK4
SCHEMBL16404647 0.76 MAPK8 (0.52) MAPK8MAPK10MAPK9JAK2MYLK4
SCHEMBL3760957 0.75 JAK2 (0.72) MAPK8MAPK10JAK2JAK3JAK1
SCHEMBL3748329 0.74 MAPK8 (0.77) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3758473 0.73 MAPK10 (1.00) MAPK8MAPK10MAPK9JAK2MYLK4
SCHEMBL3764213 0.73 MAPK10 (0.75) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL3748580 0.73 MAPK8 (0.69) MAPK8MAPK10MAPK9JAK2JAK3

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-2009032861-A1 SUBSTITUTED PYRIMIDINYL-AMINES AS PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2009-03-12 WO disclosed