SCHEMBL6585949

SCHEMBL6585949

CCc1cncc(C2=CC(N)(C(=O)Cc3ccc4ccccc4c3)N=N2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIOK2 Q9BVS4 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
PARP1 P09874 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
MAPK10 P53779 3/20 0.33
GSK3A P49840 2/20 0.33
MAPK8 P45983 2/20 0.33
HIPK1 Q86Z02 1/20 0.33
SNRK Q9NRH2 1/20 0.33
BCHE P06276 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A3 Q01959 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPY5R Q15761 2/20 0.32

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
SCHEMBL6588259 0.87 RIOK2 (0.38) RIOK2PTGDR2BCHEHTR2CADRA1A
SCHEMBL6584761 0.81 RIOK2 (0.38) RIOK2MAPK10GSK3AMAPK8HIPK1
SCHEMBL6588483 0.80 NPY5R (0.47) RIOK2CYP1A2PTGDR2MAPK10GSK3A
SCHEMBL6583451 0.80 MC4R (0.37) RIOK2PTGDR2MAPK10GSK3AMAPK8
SCHEMBL6584448 0.78 NPY5R (0.52) RIOK2CYP1A2PTGDR2MAPK10GSK3A
SCHEMBL6589152 0.77 RIOK2 (0.40) RIOK2MAPK10GSK3AMAPK8HIPK1
SCHEMBL6585290 0.76 RIOK2 (0.36) RIOK2MAPK10GSK3AMAPK8HIPK1
SCHEMBL6585427 0.74 NPY5R (0.42) RIOK2CYP1A2MAPK10GSK3AADRA1A
SCHEMBL6585559 0.71 LMNA (0.44) RIOK2CYP1A2MAPK10GSK3ASLC6A3
SCHEMBL6582907 0.68 NPY5R (0.67) RIOK2MAPK10GSK3AMAPK8HIPK1

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
EP-0945440-B1 AMINOPYRAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-05-26 EP claimed