SCHEMBL3384571

SCHEMBL3384571

CCOC(=O)C(C(=O)OCC)c1nc(NCc2ccccn2)c2c(-c3ccc4c(c3)OCO4)csc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.46
DYRK1A Q13627 2/20 0.46
PIP4K2C Q8TBX8 2/20 0.43
RET P07949 1/20 0.43
PRKCZ Q05513 2/20 0.42
PRKCI P41743 1/20 0.42
FYN P06241 1/20 0.42
MAPK1 P28482 4/20 0.42
TNF P01375 2/20 0.42
NOD1 Q9Y239 2/20 0.42
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CLK3 P49761 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38

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
SCHEMBL3383460 0.90 PRKCZ (0.43) CLK4DYRK1APIP4K2CPRKCZPRKCI
SCHEMBL6360615 0.90 CLK4 (0.47) CLK4DYRK1APIP4K2CRETFYN
SCHEMBL3384583 0.88 CLK4 (0.41) CLK4DYRK1APIP4K2CRETPRKCZ
SCHEMBL2368514 0.87 CLK4 (0.44) CLK4DYRK1APIP4K2CRETPRKCZ
SCHEMBL3387544 0.87 DYRK1A (0.46) CLK4DYRK1APIP4K2CRETFYN
SCHEMBL2368543 0.86 TNF (0.56) PIP4K2CMAPK1TNFNOD1LMNA
SCHEMBL3386697 0.85 TNF (0.48) PIP4K2CMAPK1TNFNOD1KDM4E
SCHEMBL2368286 0.85 CLK4 (0.49) CLK4DYRK1APIP4K2CRETFYN
SCHEMBL6359798 0.81 CLK4 (0.48) CLK4DYRK1APIP4K2CRETFYN
SCHEMBL2368803 0.81 CLK4 (0.46) CLK4DYRK1APIP4K2CRETFYN

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