SCHEMBL8052148

SCHEMBL8052148

Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(N5CCCC(CO)C5)c(N)c4)n3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 8/20 0.53
MAPK8 P45983 6/20 0.53
MAPK9 P45984 2/20 0.43
JAK2 O60674 9/20 0.42
JAK3 P52333 5/20 0.41
STK17A Q9UEE5 2/20 0.39
MYLK4 Q86YV6 1/20 0.39
JAK1 P23458 1/20 0.39
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL3764858 0.90 MAPK10 (0.54) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL8052127 0.86 MAPK10 (0.61) MAPK10MAPK8MAPK9JAK2STK17A
SCHEMBL16404642 0.80 MAPK10 (0.56) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3758899 0.80 MAPK10 (0.56) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL8050839 0.80 MAPK10 (0.58) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL8057480 0.79 MAPK10 (0.59) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3756008 0.78 MAPK10 (0.55) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3750455 0.77 MAPK10 (0.52) MAPK10MAPK8MAPK9JAK2JAK3
SCHEMBL3756434 0.75 MAPK10 (0.62) MAPK10MAPK8MAPK9JAK2STK17A
SCHEMBL3754746 0.75 MAPK10 (0.59) MAPK10MAPK8MAPK9JAK2JAK3

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