SCHEMBL5025499

SCHEMBL5025499

CCCNc1nc(N)ncc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
APP P05067 1/20 0.46
TLR8 Q9NR97 11/20 0.44
NUDT1 P36639 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TLR7 Q9NYK1 5/20 0.40
MAPK14 Q16539 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL22866307 0.79 ALDH1A1 (0.59) BCL6L3MBTL1ALDH1A1TLR7STK17A
SCHEMBL179459 0.79 PTPN1 (0.48) L3MBTL1APPTLR8NUDT1ALDH1A1
SCHEMBL26944952 0.77 L3MBTL1 (0.46) L3MBTL1APPTLR8NUDT1ALDH1A1
SCHEMBL18855177 0.77 BCL6 (0.50) BCL6L3MBTL1TLR8NUDT1
SCHEMBL2744648 0.76 BCL6 (0.56) BCL6L3MBTL1NUDT1ALDH1A1STK17A
SCHEMBL217587 0.75 BCL6 (0.47) BCL6L3MBTL1TLR8NUDT1TLR7
SCHEMBL9925932 0.73 BCL6 (0.46) BCL6L3MBTL1TLR8NUDT1ALDH1A1
SCHEMBL9925942 0.73 BCL6 (0.46) BCL6L3MBTL1TLR8NUDT1ALDH1A1
SCHEMBL218364 0.73 BCL6 (0.46) BCL6L3MBTL1TLR8NUDT1ALDH1A1
SCHEMBL4480627 0.73 LMNA (0.43) BCL6L3MBTL1NUDT1TLR7

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-1904457-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2008-04-02 EP claimed
WO-2006133426-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2006-12-14 WO claimed