SCHEMBL5200210

SCHEMBL5200210

c1coc(Nc2ccc(N3CCOCC3)cc2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 8/20 0.53
JAK2 O60674 2/20 0.52
VCP P55072 1/20 0.52
MAPK10 P53779 2/20 0.50
MAPT P10636 2/20 0.50
SLC2A1 P11166 1/20 0.50
TP53 P04637 1/20 0.50
MAPK1 P28482 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 1/20 0.49
SYK P43405 1/20 0.48
KDM1A O60341 1/20 0.48
IGF1R P08069 1/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47

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
SCHEMBL5199413 0.88 CD274 (0.46) PLK4JAK2VCPMAPK10MAPT
SCHEMBL5199072 0.85 ADRA2A (0.54) JAK2SLC2A1KDM1A
SCHEMBL30855009 0.85 HDAC3 (0.53) PLK4JAK2MAPK10
SCHEMBL30854968 0.78 KDM4E (0.57) PLK4JAK2MAPTMAPK1NPC1
SCHEMBL7980595 0.78 MAPT (0.62) PLK4JAK2VCPMAPTTP53
SCHEMBL29972048 0.76 PLK4 (0.68) PLK4JAK2MAPTTP53MAPK1
SCHEMBL30854958 0.76 MAPT (0.65) PLK4JAK2MAPK10MAPTSLC2A1
SCHEMBL28085067 0.74 PLK4 (0.68) PLK4JAK2IGF1RAURKAAURKB
SCHEMBL30855027 0.73 PDE10A (0.64) PLK4JAK2MAPK10MAPTSLC2A1
SCHEMBL16423491 0.72 PLK4 (0.70) PLK4JAK2IGF1RAURKAAURKB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN claimed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP claimed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP claimed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO claimed
CN-117916237-A Amino aryl integrin agonist compounds 德克萨斯心脏研究所 2024-04-19 CN disclosed
EP-1551813-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-07-11 EP disclosed
EP-1551813-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-13 EP disclosed
WO-2004032882-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2004-04-22 WO disclosed