SCHEMBL6451777

SCHEMBL6451777

CCn1cc(N(CCS(N)(=O)=O)C2CCCCC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.34
TGFBR1 P36897 1/20 0.34
KAT5 Q92993 1/20 0.33
JAK2 O60674 4/20 0.32
JAK3 P52333 4/20 0.32
JAK1 P23458 3/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL6455548 0.82 CA2 (0.39) KMT2A
SCHEMBL6458237 0.78 TGFBR1 (0.41) KMT2ATGFBR1KAT5JAK2JAK3
SCHEMBL6456250 0.73 KMT2A (0.39) KMT2AHDAC6TGFBR1JAK2JAK3
SCHEMBL6456034 0.72 TGFBR1 (0.41) TGFBR1JAK2JAK3JAK1LMNA
SCHEMBL6453841 0.72 SLC6A2 (0.39) KMT2ALMNA
SCHEMBL6464368 0.70 TGFBR1 (0.41) TGFBR1JAK2JAK3JAK1
SCHEMBL6461886 0.70 TGFBR1 (0.41) KMT2ATGFBR1JAK2JAK3JAK1
SCHEMBL6454933 0.68 TP53 (0.37) KMT2ATGFBR1TP53LMNA
SCHEMBL6436408 0.67 JAK3 (0.37) HDAC6TGFBR1JAK2JAK3JAK1
SCHEMBL6436419 0.66 JAK3 (0.37) TGFBR1JAK2JAK3LMNATSHR

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-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO disclosed