SCHEMBL6378306

SCHEMBL6378306

CN(C)CCCNc1cccc(-c2nc3c(OC(N)=O)cccc3[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.49
PIM3 Q86V86 2/20 0.49
BRSK1 Q8TDC3 2/20 0.49
AURKB Q96GD4 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
MKNK2 Q9HBH9 2/20 0.49
DYRK3 O43781 1/20 0.49
MAP4K4 O95819 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CSNK2A1 P68400 1/20 0.49
PKN2 Q16513 1/20 0.49
HIPK2 Q9H2X6 1/20 0.49
STK17A Q9UEE5 1/20 0.49
MAP4K5 Q9Y4K4 1/20 0.49
PARP1 P09874 12/20 0.46
CHEK2 O96017 1/20 0.44
DHODH Q02127 1/20 0.43
HPSE Q9Y251 1/20 0.42
RAD52 P43351 1/20 0.42
UHRF1 Q96T88 1/20 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
SCHEMBL6383290 0.94 DYRK3 (0.51) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6378805 0.91 PIM1 (0.52) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6380062 0.89 PARP1 (0.44) PARP1DHODHHPSEMMP2MMP9
SCHEMBL6385466 0.87 PIM1 (0.47) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6384304 0.86 PARP1 (0.45) PARP1DHODHHPSEMMP2MMP9
SCHEMBL6384729 0.85 HPSE (0.53) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6585497 0.84 PARP1 (0.45) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6381528 0.82 PARP1 (0.58) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6441691 0.81 PIM1 (0.51) PIM1PIM3BRSK1AURKBCLK4
SCHEMBL6579124 0.80 MAP4K4 (0.75) PIM1PIM3BRSK1AURKBCLK4

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-1131301-B1 2-PHENYLBENZIMIDAZOLES AND 2-PHENYLINDOLES, AND PRODUCTION AND USE THEREOF ABBOTT GMBH & CO KG (DE) 2005-08-24 EP disclosed