SCHEMBL6769930

SCHEMBL6769930

CSc1ncc(C(=O)NCc2cccnc2)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 3/20 0.46
THRB P10828 2/20 0.45
JAK3 P52333 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
MAPT P10636 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SYK P43405 4/20 0.43
METTL3 Q86U44 1/20 0.43
HTT P42858 1/20 0.43
CDK2 P24941 3/20 0.42
CLK2 P49760 3/20 0.42
DYRK1A Q13627 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CLK1 P49759 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
PLK4 O00444 2/20 0.42
CHEK1 O14757 2/20 0.42

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
SCHEMBL6771569 0.93 LMNA (0.47) LMNAROCK2ROCK1THRBJAK3
SCHEMBL7081412 0.86 ALDH1A1 (0.48) LMNAROCK2ROCK1JAK3IRAK4
SCHEMBL6611762 0.85 SYK (0.49) LMNAROCK2ROCK1MAPTSYK
SCHEMBL6769085 0.84 SYK (0.52) ROCK2ROCK1IRAK4SYKHTT
SCHEMBL6770452 0.83 RPS6KB1 (0.51) LMNAROCK2ROCK1JAK3IRAK4
SCHEMBL6769928 0.81 RPS6KB1 (0.52) LMNAROCK2ROCK1MAPTALDH1A1
SCHEMBL6766687 0.81 RPS6KB1 (0.53) ROCK2ROCK1SYKHTTCDK2
SCHEMBL6769259 0.81 ROCK1 (0.52) ROCK2ROCK1JAK3IRAK4ALDH1A1
SCHEMBL6639550 0.80 SYK (0.53) ROCK2ROCK1JAK3IRAK4SYK
SCHEMBL7077388 0.79 ALDH1A1 (0.48) LMNAALDH1A1METTL3HTTCDK2

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
US-6762189-B1 HEPATITIS B VIRUS AND HUMAN IMMUNODEFICIENCY VIRUS ANTIPROLIFERATION AGENTS; REDUCED CHANCE OF TOXICITY, SIDE EFFECTS, AND DEVELOPMENT OF RESISTANT VIRAL STRAINS DONG WHA PHARM. IND. CO., LTD. (KR) 2004-07-13 US disclosed