SCHEMBL3388077

SCHEMBL3388077

CCOC(=O)c1cccnc1CNc1ncnc2scc(-c3ccccc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.57
TNF P01375 1/20 0.57
NOD1 Q9Y239 1/20 0.57
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 3/20 0.49
PIP4K2C Q8TBX8 2/20 0.48
LMNA P02545 4/20 0.47
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
THRB P10828 1/20 0.47
PTPN5 P54829 1/20 0.47
MEN1 O00255 2/20 0.46
PRNP P04156 1/20 0.46

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
SCHEMBL2368709 0.82 MAPK1 (0.69) MAPK1TNFNOD1CCNCCDK8
SCHEMBL1902142 0.80 ALDH1A1 (0.59) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2368397 0.74 PRNP (0.64) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369019 0.74 MAPK1 (1.00) MAPK1TNFNOD1CCNCCDK8
SCHEMBL5789044 0.73 ATM (0.65) MAPK1TNFNOD1CCNCCDK8
SCHEMBL3386912 0.73 ALDH1A1 (0.67) MAPK1TNFNOD1CCNCCDK8
SCHEMBL2369277 0.73 CCNC (0.78) MAPK1TNFNOD1CCNCCDK8
SCHEMBL3382519 0.73 TNF (0.72) MAPK1TNFNOD1CCNCCDK8
SCHEMBL18292708 0.72 FGFR1 (0.60) MAPK1CCNCCDK8ALDH1A1KDM4E
SCHEMBL6363985 0.71 TNF (0.80) MAPK1TNFNOD1CCNCCDK8

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