SCHEMBL4056293

SCHEMBL4056293

COc1ccc(-n2c(C)c(C#N)c3cc(Br)c(O)cc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
HTT P42858 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39

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
SCHEMBL4066605 0.81 CLK1 (0.60) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL10192294 0.81 CLK1 (0.43) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4242839 0.80 MEN1 (0.40) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066650 0.77 CLK1 (0.70) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL23886793 0.75 KDM4E (0.33) TSHRHSD17B10NPSR1ALDH1A1POLB
SCHEMBL30176299 0.75 KDM4E (0.33) TSHRHSD17B10NPSR1ALDH1A1POLB
SCHEMBL4794811 0.75 CLK1 (0.53) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL4066328 0.74 HTT (0.56) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL12377649 0.72 HTT (0.39) CLK1GSK3BDYRK1ACLK4DYRK1B
SCHEMBL28794894 0.70 HTT (0.43) HTTMAPTMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960777-B1 SERUM-FREE EXPANSION OF CELLS IN CULTURE CHOONGWAE PHARMA CORP (KR) 2009-10-21 EP disclosed
US-20070128669-A1 Serum-free expansion of cells in culture INSTITUTE FOR CHEMICAL GENOMICS (US) 2007-06-07 US disclosed