SCHEMBL1663544

SCHEMBL1663544

Nc1ccc2[nH]nc(-c3ccc(NC(=O)N4CCOCC4)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.54
CLK3 P49761 1/20 0.54
DYRK1A Q13627 1/20 0.54
JAK2 O60674 1/20 0.51
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LRRK2 Q5S007 2/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
ESR2 Q92731 1/20 0.46
BLM P54132 1/20 0.46
FLT3 P36888 1/20 0.45

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
SCHEMBL5372624 0.85 SMN1; SMN2 (0.60) CLK2CLK3DYRK1AJAK2GAA
SCHEMBL2858065 0.78 SMN1; SMN2 (0.51) CLK2CLK3DYRK1ASMN1; SMN2LRRK2
SCHEMBL14863718 0.78 LRRK2 (0.53) JAK2LRRK2AXL
SCHEMBL2475796 0.77 GAA (0.73) GAASMN1; SMN2CYP2C9CYP2C19MAPT
SCHEMBL14803957 0.76 DYRK1A (0.82) CLK2CLK3DYRK1A
Trifluoroacetic Acid SCHEMBL14863416 0.76 PRKAB2 (0.52) JAK2LRRK2FLT3AXL
SCHEMBL28776034 0.75 FLT3 (0.56) CLK2CLK3DYRK1ASMN1; SMN2LRRK2
SCHEMBL28775990 0.72 DYRK1A (0.61) CLK2CLK3DYRK1AJAK2SMN1; SMN2
SCHEMBL1663211 0.71 AXL (0.60) CLK2DYRK1AJAK2GAAHPGD
SCHEMBL14803961 0.71 DYRK1A (0.87) CLK2CLK3DYRK1AFLT3

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