SCHEMBL28057563

SCHEMBL28057563

c1nc2cnc(C3CCCCO3)nc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
PAK1 Q13153 1/20 0.31
QPCT Q16769 1/20 0.30
IRAK4 Q9NWZ3 1/20 0.30

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
SCHEMBL4156180 0.96 MAPK8 (0.35) MAPK8MAPK9MAPK10PAK1QPCT
SCHEMBL9854783 0.91 MAPK8 (0.30) MAPK8MAPK9MAPK10
SCHEMBL18167357 0.79
SCHEMBL6946172 0.79 PAK1 (0.35) PAK1
Hydrochloric Acid SCHEMBL6821627 0.77 PAK1 (0.34) PAK1
SCHEMBL2002538 0.77 PAK1 (0.48) MAPK8MAPK9MAPK10PAK1
SCHEMBL9565545 0.75 CCNE1 (0.34) PAK1
SCHEMBL2388908 0.72 PAK1 (0.46) MAPK8MAPK9MAPK10PAK1QPCT
SCHEMBL6456365 0.71 AURKA (0.34) MAPK8MAPK9MAPK10PAK1IRAK4
SCHEMBL13269174 0.70 PDE8B (0.43) PAK1IRAK4

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
CN-104351247-B A kind of short-tube lycoris bulb tillering accelerator and using method thereof Changsha University of Sciences and Technology (CN) 2016-05-11 CN claimed