SCHEMBL8060642

SCHEMBL8060642

C=CN(/N=C(\N)c1ncccc1F)c1ccc(Nc2nccc(-c3cc(F)cc(N4CCOCC4)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 4/20 0.52
MAPK10 P53779 4/20 0.52
MAPK9 P45984 1/20 0.52
JAK2 O60674 14/20 0.48
JAK3 P52333 5/20 0.48
TYK2 P29597 3/20 0.48
JAK1 P23458 3/20 0.48
CAMK2D Q13557 1/20 0.41

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
SCHEMBL8058859 0.93 MAPK8 (0.51) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081590 0.92 MAPK8 (0.50) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL8040575 0.88 MAPK8 (0.54) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL8040865 0.88 MAPK8 (0.54) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081580 0.88 MAPK8 (0.56) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081016 0.88 MAPK8 (0.57) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081581 0.88 MAPK8 (0.57) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL8051682 0.87 MAPK8 (0.56) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081061 0.86 MAPK8 (0.56) MAPK8MAPK10MAPK9JAK2JAK3
SCHEMBL13081201 0.86 MAPK8 (0.56) 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