SCHEMBL3387014

SCHEMBL3387014

Brc1sc2ncnc(NCc3ccco3)c2c1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.60
ALDH1A1 P00352 8/20 0.60
TSHR P16473 5/20 0.60
MAPT P10636 5/20 0.60
POLB P06746 4/20 0.60
MAPK1 P28482 4/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
ALOX15 P16050 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
REN P00797 2/20 0.56
HPGD P15428 5/20 0.53
HTT P42858 5/20 0.53
LMNA P02545 4/20 0.53
KDM4E B2RXH2 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL3386427 0.85 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL3382778 0.80 TNF (0.61) SMN1; SMN2ALDH1A1MAPTPOLBMAPK1
SCHEMBL2368308 0.77 MAPK1 (0.65) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL2368841 0.76 MAPK1 (0.44) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL12355042 0.75 AURKA (0.65) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL5792474 0.74 PTGS1 (0.43) ALDH1A1TSHRMAPTPOLBMEN1
SCHEMBL3384508 0.74 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL12355122 0.72 AURKA (0.56) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL3387010 0.71 LIMK1 (0.34) SMN1; SMN2ALDH1A1TSHRMAPTPOLB
SCHEMBL2368964 0.71 MAPT (0.34) SMN1; SMN2ALDH1A1TSHRMAPTPOLB

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 5 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
CN-1823071-A Thienopyrimidine derivatives as potassium channel inhibitors XENTION DISCOVERY LTD (GB) 2006-08-23 CN 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