SCHEMBL1663342

SCHEMBL1663342

O=C(Nc1ccc2c(cnn2-c2ccc(Nc3ccccc3)cc2)c1)c1ccc(N2CCC(O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
MAPK10 P53779 6/20 0.51
MAPK8 P45983 5/20 0.51
TNIK Q9UKE5 1/20 0.50
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
BRD4 O60885 1/20 0.44
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMO Q99835 1/20 0.43
MCHR1 Q99705 2/20 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
SCHEMBL1663344 0.94 MAOB (0.56) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL8777699 0.89 TNIK (0.51) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1663848 0.89 TNIK (0.47) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1664511 0.89 SMO (0.54) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1664474 0.88 TNIK (0.46) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1666461 0.88 MAPT (0.50) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1666463 0.88 MAPT (0.52) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1664924 0.88 MAOB (0.46) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL8771617 0.88 MGLL (0.46) MAOBMAPK10MAPK8TNIKMAPK14
SCHEMBL1665595 0.87 ABL1 (0.48) MAOBMAPK10MAPK8TNIKMAPK14

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