SCHEMBL5054510

SCHEMBL5054510

CCN(C(=O)c1ccc(Sc2ccc(NC(=O)OCC(Cl)(Cl)Cl)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.37
AKT2 P31751 1/20 0.37
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
MAPK14 Q16539 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
SCHEMBL1455142 0.87 PIM1 (0.35) PIM1AKT2MAPT
SCHEMBL1454273 0.87 PIM1 (0.38) PIM1AKT2MAPK14
SCHEMBL1454998 0.86 PIM1 (0.38) PIM1AKT2
SCHEMBL1455491 0.85 PIM1 (0.37) PIM1AKT2MAPT
SCHEMBL1456231 0.85 PIM1 (0.36) PIM1AKT2
SCHEMBL1454418 0.85 PIM1 (0.39) PIM1AKT2MAPK14
SCHEMBL1455220 0.85 PIM1 (0.36) PIM1AKT2HPGDMAPT
SCHEMBL1455263 0.84 PIM1 (0.35) PIM1AKT2MAPTMAPK14
SCHEMBL1455352 0.84 PIM1 (0.37) PIM1AKT2
SCHEMBL1455126 0.83 HPGDS (0.35) PIM1AKT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed