SCHEMBL3382804

SCHEMBL3382804

CNC(=O)Cc1nc(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 0.46
RET P07949 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 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
SCHEMBL2369071 0.90 DYRK1A (0.44) DYRK1ACLK4FYNRETKDM4E
SCHEMBL3383063 0.90 LMNA (0.38) DYRK1ACLK4KDM4EMEN1KMT2A
SCHEMBL2368855 0.88 CLK4 (0.48) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368803 0.86 CLK4 (0.46) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368971 0.86 KCNH2 (0.44) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2369196 0.84 SMN1; SMN2 (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL2368771 0.83 CLK4 (0.47) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2368294 0.83 CLK4 (0.47) DYRK1ACLK4FYNRETKDM4E
SCHEMBL3387544 0.82 DYRK1A (0.46) DYRK1ACLK4FYNRETKDM4E
SCHEMBL2369514 0.81 CLK4 (0.46) 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