SCHEMBL1664447

SCHEMBL1664447

O=C(NC1CC1)c1ccc(-n2ccc3cc(Nc4ccc(N5CCCC(CO)C5)cc4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
HPGDS O60760 1/20 0.41
JAK2 O60674 3/20 0.40
SYK P43405 1/20 0.40
BRD4 O60885 4/20 0.39
BCL6 P41182 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
HTR2A P28223 5/20 0.37
DRD3 P35462 5/20 0.37
DRD2 P14416 3/20 0.37
JAK3 P52333 3/20 0.37
BTK Q06187 1/20 0.37
DHODH Q02127 1/20 0.37
FPR1 P21462 1/20 0.36
FPR2 P25090 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL1664450 0.93 SMYD3 (0.43) SMYD3HPGDSJAK2SYKMAPT
SCHEMBL1666783 0.83 SMYD3 (0.46) SMYD3HPGDSJAK2SYKBRD4
SCHEMBL28800186 0.82 NPC1 (0.45) JAK2SYKMAPTRAB9A
SCHEMBL1664403 0.82 BRD4 (0.57) SMYD3HPGDSJAK2BRD4RAB9A
SCHEMBL1666855 0.81 BRD4 (0.47) SMYD3HPGDSJAK2BRD4MAPT
SCHEMBL1666853 0.81 BRD4 (0.45) SMYD3HPGDSJAK2SYKBRD4
SCHEMBL27918304 0.80 F2 (0.46) JAK2SYKMAPTRAB9AFPR1
SCHEMBL1667320 0.78 HPGDS (0.49) SMYD3HPGDSJAK2SYKBRD4
SCHEMBL1664448 0.78 HPGDS (0.46) HPGDSJAK2BRD4MAPTRAB9A
SCHEMBL28805592 0.78 F2 (0.37) JAK2SYKBCL6MAPTRAB9A

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