SCHEMBL1664384

SCHEMBL1664384

COc1cc(Nc2ccc(Nc3ccc(NC(=O)c4cccn4C)cc3)cc2)ccc1N1CCC(O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.48
IMPDH2 P12268 1/20 0.46
GPX4 P36969 6/20 0.43
EML4 Q9HC35 2/20 0.42
ALK Q9UM73 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41
HTR2C P28335 1/20 0.41
FGFR3 P22607 1/20 0.41
GRM1 Q13255 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
NPY2R P49146 1/20 0.40
MALT1 Q9UDY8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1664593 0.95 HPGDS (0.45) HPGDSIMPDH2GPX4EML4ALK
SCHEMBL1664387 0.94 KMT2A (0.47) HPGDSIMPDH2HTR1DHTR1BMEN1
SCHEMBL1664596 0.88 HPGDS (0.46) HPGDSIMPDH2HTR1DHTR1BMEN1
SCHEMBL1664653 0.87 HPGDS (0.51) HPGDSEML4ALKGRM1KMT2A
SCHEMBL1664464 0.86 HPGDS (0.50) HPGDSGRM1NPY2RMEN1KMT2A
SCHEMBL1664452 0.84 HPGDS (0.48) HPGDSEML4ALKGRM1NPY2R
SCHEMBL1664657 0.83 HPGDS (0.51) HPGDSHTR1DHTR1BGRM1MEN1
SCHEMBL1665157 0.82 HPGDS (0.46) HPGDSGRM1NPY2RMEN1KMT2A
SCHEMBL1664466 0.82 HPGDS (0.48) HPGDSGRM1NPY2R
SCHEMBL1664479 0.80 CYP2C9 (0.45) HPGDSEML4ALKNPY2R

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