SCHEMBL1664056

SCHEMBL1664056

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCOCC5)cc4)ccc32)cc1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
DYRK1A Q13627 2/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
PIK3CG P48736 2/20 0.43
JAK2 O60674 4/20 0.42
FLT3 P36888 4/20 0.42
MAPK8 P45983 4/20 0.42
MAPK10 P53779 4/20 0.42
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
HPGDS O60760 1/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL1664058 0.91 MAPT (0.49) MAPTHPGDSMN1; SMN2PIK3CAMTOR
SCHEMBL1664258 0.86 JAK2 (0.48) MAPTGAAHPGDSMN1; SMN2NPSR1
SCHEMBL1666104 0.86 MAPT (0.46) MAPTGAAHPGDSMN1; SMN2NPSR1
SCHEMBL12790763 0.81 MAPT (0.55) MAPTHPGDSMN1; SMN2MAPK8MAPK10
SCHEMBL1664474 0.81 TNIK (0.46) MAPTGAAHPGDSMN1; SMN2FLT3
SCHEMBL1665408 0.80 MAPK10 (0.49) MAPTHPGDSMN1; SMN2MAPK8MAPK10
SCHEMBL13836562 0.77 GAA (0.49) MAPTGAAHPGDSMN1; SMN2NPSR1
SCHEMBL1664260 0.77 MAPT (0.53) MAPTHPGDSMN1; SMN2FLT3MAPK8
SCHEMBL1666106 0.77 MAPT (0.51) MAPTHPGDSMN1; SMN2MAPK8MAPK10
SCHEMBL1664618 0.76 MAPT (0.46) MAPTHPGDSMN1; SMN2MAPK8MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed