SCHEMBL3386912

SCHEMBL3386912

CN(C)C(=O)CNc1ncnc2scc(-c3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
RXFP1 Q9HBX9 2/20 0.67
KDM4E B2RXH2 1/20 0.67
RECQL P46063 1/20 0.63
MAPK1 P28482 2/20 0.57
TNF P01375 1/20 0.57
NOD1 Q9Y239 1/20 0.57
LMNA P02545 5/20 0.56
CSNK2A2 P19784 3/20 0.56
CSNK2B P67870 3/20 0.56
CSNK2A1 P68400 3/20 0.56
THRB P10828 1/20 0.56
PTPN5 P54829 1/20 0.56
ATM Q13315 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
FGFR1 P11362 4/20 0.54

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
SCHEMBL5789044 0.87 ATM (0.65) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL2368397 0.85 PRNP (0.64) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL1902142 0.84 ALDH1A1 (0.59) ALDH1A1RXFP1KDM4ERECQLMAPK1
SCHEMBL2368421 0.77 MAPK1 (0.63) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL2369277 0.77 CCNC (0.78) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL2368203 0.76 ALDH1A1 (0.69) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL1899788 0.76 ALDH1A1 (0.72) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL3169227 0.76 MAPK1 (0.65) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL1514866 0.76 ATM (0.66) ALDH1A1RXFP1KDM4EMAPK1TNF
SCHEMBL2368993 0.75 CCNC (0.65) ALDH1A1RXFP1KDM4EMAPK1TNF

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