SCHEMBL3387544

SCHEMBL3387544

CCOC(=O)C(C(=O)OCC)c1nc(NCc2ccccn2)c2c(-c3ccc4c(c3)OCO4)c(C)sc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
FYN P06241 1/20 0.42
RET P07949 1/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
HIF1A Q16665 1/20 0.37
DHODH Q02127 1/20 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
SCHEMBL3387021 0.90 JAK2 (0.36) DYRK1ACLK4KDM4EALDH1A1MAPT
SCHEMBL3387551 0.89 DYRK1A (0.40) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368771 0.87 CLK4 (0.47) DYRK1ACLK4FYNRETKDM4E
SCHEMBL3384571 0.87 CLK4 (0.46) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2369071 0.87 DYRK1A (0.44) DYRK1ACLK4FYNRETKDM4E
SCHEMBL3415627 0.86 ALDH1A1 (0.44) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2368411 0.85 SMN1; SMN2 (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL3382804 0.82 DYRK1A (0.46) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368855 0.81 CLK4 (0.48) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368294 0.81 CLK4 (0.47) DYRK1ACLK4FYNRETKDM4E

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