SCHEMBL8095697

SCHEMBL8095697

NNc1nc(Cl)nc2[nH]ncc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.55
PAK4 O96013 1/20 0.55
PDE2A O00408 1/20 0.47
PDPK1 O15530 1/20 0.42
MKNK1 Q9BUB5 4/20 0.41
HTR2C P28335 4/20 0.38
HTR2A P28223 3/20 0.38
RET P07949 1/20 0.37
PI4KA P42356 1/20 0.37
XDH P47989 1/20 0.37
LRRK2 Q5S007 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGDS O60760 1/20 0.37
BTK Q06187 1/20 0.36
CYP1A2 P05177 1/20 0.35
CCNT1 O60563 1/20 0.35

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
SCHEMBL130504 0.83 PLK4 (0.57) PLK4PAK4PDE2APDPK1MKNK1
SCHEMBL24672488 0.80 PLK4 (0.58) PLK4PAK4PDE2APDPK1MKNK1
SCHEMBL27227932 0.79 PLK4 (0.54) PLK4PAK4PDE2APDPK1HTR2C
SCHEMBL30861057 0.79 PLK4 (0.54) PLK4PAK4PDE2APDPK1HTR2C
SCHEMBL560806 0.78 RET (0.52) PLK4PAK4PDE2APDPK1MKNK1
SCHEMBL53863 0.78 PLK4 (0.47) PLK4PAK4PDE2AMKNK1RET
SCHEMBL3754341 0.78 HPGDS (0.53) PLK4PAK4PDE2AHTR2CHTR2A
SCHEMBL13896217 0.76 MAPK1 (0.59) PLK4PAK4PDE2AMKNK1HTR2C
SCHEMBL22282188 0.76 ALDH1A1 (0.59) PLK4PAK4PDE2AHTR2CHTR2A
SCHEMBL22282069 0.75 HPGDS (0.61) PLK4PAK4PDE2AHTR2CHTR2A

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
JP-2000038389-A PYRAZOLOPYRIMIDINES AND XANTHINE OXIDASE YAMASA SHOYU CO LTD 2000-02-08 JP disclosed