SCHEMBL8050839

SCHEMBL8050839

Cc1ncn(-c2ccc(Nc3nccc(-c4ccc(N)c(N5CCC(O)CC5)c4)n3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.58
MAPK8 P45983 6/20 0.58
JAK2 O60674 11/20 0.54
JAK3 P52333 3/20 0.54
MAPK9 P45984 2/20 0.49
HDAC1 Q13547 2/20 0.43

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
SCHEMBL3760515 0.88 MAPK10 (0.58) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL3754746 0.87 MAPK10 (0.59) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL8052127 0.83 MAPK10 (0.61) MAPK10MAPK8JAK2MAPK9HDAC1
SCHEMBL3753577 0.81 MAPK10 (0.79) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL8052148 0.80 MAPK10 (0.53) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL3756008 0.80 MAPK10 (0.55) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL3750455 0.79 MAPK10 (0.52) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL8057480 0.79 MAPK10 (0.59) MAPK10MAPK8JAK2JAK3MAPK9
SCHEMBL15108219 0.79 JAK2 (0.61) JAK2JAK3HDAC1
SCHEMBL3753592 0.79 MAPK10 (0.62) MAPK10MAPK8JAK2MAPK9

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