SCHEMBL14965007

SCHEMBL14965007

Brc1csc2ncnc(N3C4CCCC3CC4)c12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.36
PIP4K2C Q8TBX8 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPT P10636 1/20 0.32
STAT3 P40763 1/20 0.32

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
SCHEMBL14964845 0.85 HTT (0.34) HTTPIP4K2CPOLBKMT2ALMNA
SCHEMBL16293243 0.81 POLB (0.43) HTTPOLBKMT2A
SCHEMBL14965310 0.65 HTT (0.41) HTTPIP4K2CPOLBKMT2ANPSR1
SCHEMBL14965143 0.64
SCHEMBL869609 0.63 KDR (0.54) HTTPIP4K2CLMNASMN1; SMN2MAPT
SCHEMBL22078037 0.62 RAB9A (0.30) SMN1; SMN2
SCHEMBL13019311 0.59 HTT (0.55) HTTPIP4K2CKMT2ALMNASMN1; SMN2
SCHEMBL13583920 0.58 IRAK4 (0.77)
SCHEMBL4433890 0.57 ADRB2 (0.51) HTTPOLBKMT2ALMNANPSR1
SCHEMBL13354291 0.55 CHRNA7 (0.36) KMT2ANPSR1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780343-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS Xention Limited (GB) 2014-09-24 EP disclosed
WO-2013072694-A1 THIENO- AND FURO - PYRIMIDINES AND PYRIDINES, USEFUL AS POTASSIUM CHANNEL INHIBITORS XENTION LIMITED (GB) 2013-05-23 WO disclosed