SCHEMBL1664448

SCHEMBL1664448

CN(CCO)c1ccc(Nc2ccc3c(ccn3-c3ccc(C(=O)NC4CC4)cc3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.46
TNIK Q9UKE5 1/20 0.41
MAPT P10636 2/20 0.39
RAB9A P51151 1/20 0.39
MAPK14 Q16539 1/20 0.38
DHODH Q02127 1/20 0.38
BRD4 O60885 7/20 0.37
TTK P33981 2/20 0.36
EPHX2 P34913 1/20 0.36
JAK2 O60674 5/20 0.36
HPGD P15428 1/20 0.36
WEE1 P30291 1/20 0.36
PLK1 P53350 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1664455 0.93 HPGDS (0.46) HPGDSTNIKMAPTRAB9AMAPK14
SCHEMBL13964567 0.81 KMT2A (0.42) TNIKRAB9AMAPK14DHODHEPHX2
SCHEMBL1664403 0.80 BRD4 (0.57) HPGDSRAB9AMAPK14BRD4JAK2
SCHEMBL1666783 0.79 SMYD3 (0.46) HPGDSTNIKMAPTRAB9ADHODH
SCHEMBL28807458 0.79 HPGDS (0.45) HPGDSMAPTRAB9AMAPK14DHODH
SCHEMBL1664447 0.78 SMYD3 (0.43) HPGDSMAPTRAB9ADHODHBRD4
SCHEMBL1666853 0.78 BRD4 (0.45) HPGDSMAPTRAB9ADHODHBRD4
SCHEMBL1666855 0.78 BRD4 (0.47) HPGDSMAPTRAB9AMAPK14DHODH
SCHEMBL1664422 0.75 HPGDS (0.47) HPGDSMAPTRAB9AMAPK14DHODH
SCHEMBL1664463 0.75 KCNK3 (0.49) MAPTRAB9ADHODHALDH1A1

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