SCHEMBL1664403

SCHEMBL1664403

CN1CCN(c2ccc(Nc3ccc4c(ccn4-c4ccc(C(=O)NC5CC5)cc4)c3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.57
JAK2 O60674 5/20 0.51
HPGDS O60760 1/20 0.48
MAPK14 Q16539 2/20 0.47
AR P10275 2/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMYD3 Q9H7B4 1/20 0.45
LCK P06239 1/20 0.43
JAK3 P52333 1/20 0.43
DRD2 P14416 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL1664406 0.92 NPC1 (0.53) BRD4HPGDSMAPK14KDRFLT3
SCHEMBL1666855 0.90 BRD4 (0.47) BRD4JAK2HPGDSMAPK14RAB9A
SCHEMBL1666853 0.90 BRD4 (0.45) BRD4JAK2HPGDSRAB9ASMYD3
SCHEMBL1666783 0.89 SMYD3 (0.46) BRD4JAK2HPGDSRAB9ASMYD3
SCHEMBL1667320 0.84 HPGDS (0.49) BRD4JAK2HPGDSMAPK14NPC1
SCHEMBL1664447 0.82 SMYD3 (0.43) BRD4JAK2HPGDSRAB9ASMYD3
SCHEMBL13836635 0.82 SMYD3 (0.44) BRD4HPGDSKDRFLT3NPC1
SCHEMBL13836637 0.82 SMYD3 (0.44) BRD4HPGDSKDRFLT3NPC1
SCHEMBL1666784 0.82 SMYD3 (0.46) BRD4HPGDSMAPK14KDRFLT3
SCHEMBL1664448 0.80 HPGDS (0.46) BRD4JAK2HPGDSMAPK14RAB9A

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