SCHEMBL889783

SCHEMBL889783

CC(=NNC(=N)N)c1ccc(NC(=O)Nc2ccc(C=NNC(=N)N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.47
CHEK1 O14757 1/20 0.47
AURKA O14965 1/20 0.47
CHUK O15111 1/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
ROCK2 O75116 1/20 0.47
PAK4 O96013 1/20 0.47
CHEK2 O96017 1/20 0.47
CDK1 P06493 1/20 0.47
PIM1 P11309 1/20 0.47
PRKACA P17612 1/20 0.47
FGFR3 P22607 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CDK2 P24941 1/20 0.47
MARK3 P27448 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

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
SCHEMBL13941402 0.88 PLK4 (0.57) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13160507 0.88 PLK4 (0.57) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13431057 0.88 PLK4 (0.57) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13985372 0.87 RAB9A (0.52) ESRRGFAAHMGLL
SCHEMBL13941399 0.84 NPC1 (0.54) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL15849842 0.83 MAPT (0.56) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13941421 0.83 PLK4 (0.52) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13985294 0.83 MAPT (0.45) ESRRGFAAHMGLL
SCHEMBL13941400 0.82 FAAH (0.62) PLK4CHEK1AURKACHUKDAPK3
SCHEMBL13941401 0.82 PLK4 (0.51) PLK4CHEK1AURKACHUKDAPK3

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-20110275070-A1 HYBRIDIZATION AND MISMATCH DISCRIMINATION USING OLIGONUCLEOTIDES CONJUGATED TO MINOR GROOVE BINDERS EPOCH PHARMACEUTICALS, INC. 2011-11-10 US disclosed