SCHEMBL4370102

SCHEMBL4370102

CCOc1c(Nc2ccnc(Br)c2)c(=O)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.50
GAA P10253 2/20 0.47
AR P10275 5/20 0.40
PTK6 Q13882 2/20 0.37
MAPKAPK2 P49137 5/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
ROCK2 O75116 1/20 0.33
CHEK2 O96017 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AKT1 P31749 1/20 0.33
MATK P42679 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
NEK4 P51957 1/20 0.33

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
SCHEMBL4368135 0.85 POLB (0.52) POLBMAPTGAAMAPKAPK2MEN1
SCHEMBL4023021 0.81 POLB (0.64) POLBMAPTGAAMAPKAPK2LMNA
SCHEMBL7571735 0.79 POLB (0.55) POLBMAPTGAAMEN1KMT2A
SCHEMBL10112748 0.78 POLB (0.68) POLBMAPTGAAMEN1KMT2A
SCHEMBL7572017 0.76 POLB (0.55) POLBMAPTGAAPTK6MEN1
SCHEMBL8995732 0.75 POLB (0.50) POLBMAPTGAAMEN1KMT2A
SCHEMBL6549773 0.74 POLB (0.68) POLBMAPTGAAMEN1KMT2A
SCHEMBL7093309 0.73 POLB (0.55) POLBMAPTGAAMAPKAPK2MEN1
SCHEMBL4023982 0.73 POLB (0.55) POLBMAPTGAAKMT2ALMNA
SCHEMBL7916278 0.73 POLB (0.70) POLBMAPTGAACHEK2PRKACA

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
WO-2009012375-A2 SQUARATE KINASE INHIBITORS WYETH (US) 2009-01-22 WO disclosed