SCHEMBL1664474

SCHEMBL1664474

O=C(Nc1ccc(-n2ncc3cc(Nc4ccc(N5CCC(O)CC5)cc4)ccc32)cc1)c1ccc(NC(=O)N2CCC(O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 1/20 0.46
HPGDS O60760 1/20 0.43
MAPK10 P53779 6/20 0.43
MAPK8 P45983 5/20 0.43
MAPK13 O15264 2/20 0.42
MAPK12 P53778 2/20 0.42
MAPK11 Q15759 2/20 0.42
MAPK14 Q16539 2/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
MAOB P27338 1/20 0.42
PDE7A Q13946 1/20 0.40
NAMPT P43490 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GAA P10253 1/20 0.39
FLT3 P36888 1/20 0.39
KMT2A Q03164 3/20 0.39

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
SCHEMBL1664478 0.95 MAOB (0.46) TNIKHPGDSMAPK10MAPK8MAPK13
SCHEMBL1666461 0.89 MAPT (0.50) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1663342 0.88 MAOB (0.52) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL6126509 0.88 SMN1; SMN2 (0.45) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL8771617 0.87 MGLL (0.46) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664914 0.87 TNIK (0.44) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1663344 0.86 MAOB (0.56) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL18745971 0.86 MAOB (0.47) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1664303 0.86 MAPK10 (0.45) TNIKMAPK10MAPK8MAPK13MAPK12
SCHEMBL1665369 0.86 MAPT (0.43) TNIKMAPK10MAPK8MAPK13MAPK12

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-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO disclosed