SCHEMBL3384583

SCHEMBL3384583

CCC(C)OC(=O)C(C(=O)O)c1nc(NCc2ccccn2)c2c(-c3ccc4c(c3)OCO4)csc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.41
DYRK1A Q13627 2/20 0.41
MAPK1 P28482 2/20 0.40
TNF P01375 1/20 0.40
NOD1 Q9Y239 1/20 0.40
PIP4K2C Q8TBX8 2/20 0.40
RET P07949 1/20 0.40
FYN P06241 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK1 P49759 1/20 0.37
CLK2 P49760 1/20 0.37
CLK3 P49761 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL3383464 0.91 CLK4 (0.37) CLK4DYRK1AMAPK1PIP4K2CNPSR1
SCHEMBL6360615 0.90 CLK4 (0.47) CLK4DYRK1AMAPK1TNFNOD1
SCHEMBL2368555 0.89 TNF (0.52) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL3384571 0.88 CLK4 (0.46) CLK4DYRK1AMAPK1TNFNOD1
SCHEMBL3387551 0.87 DYRK1A (0.40) CLK4DYRK1AMAPK1PIP4K2CRET
SCHEMBL3386708 0.87 TNF (0.46) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL2368286 0.81 CLK4 (0.49) CLK4DYRK1AMAPK1TNFNOD1
SCHEMBL2368514 0.80 CLK4 (0.44) CLK4DYRK1AMAPK1TNFNOD1
SCHEMBL3415890 0.79 ESR1 (0.40) MAPK1TNFNOD1PIP4K2CALDH1A1
SCHEMBL6359798 0.79 CLK4 (0.48) CLK4DYRK1AMAPK1TNFNOD1

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-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 WO disclosed