SCHEMBL6458237

SCHEMBL6458237

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.41
JAK3 P52333 7/20 0.39
JAK2 O60674 7/20 0.39
JAK1 P23458 5/20 0.39
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
GFER P55789 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
KAT5 Q92993 1/20 0.34
KMT2A Q03164 3/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33

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
SCHEMBL6456034 0.81 TGFBR1 (0.41) TGFBR1JAK3JAK2JAK1LMNA
SCHEMBL6464368 0.79 TGFBR1 (0.41) TGFBR1JAK3JAK2JAK1
SCHEMBL6451777 0.78 KMT2A (0.38) TGFBR1JAK3JAK2JAK1LMNA
SCHEMBL6456250 0.75 KMT2A (0.39) TGFBR1JAK3JAK2JAK1LMNA
SCHEMBL6453841 0.73 SLC6A2 (0.39) LMNAMAPTKMT2ASMN1; SMN2S1PR1
SCHEMBL6455548 0.72 CA2 (0.39) KMT2AALDH1A1SMN1; SMN2S1PR1S1PR3
SCHEMBL7371438 0.71 MEN1 (0.51) NPSR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL6454933 0.70 TP53 (0.37) TGFBR1LMNAPROKR1KMT2AMEN1
SCHEMBL6436419 0.68 JAK3 (0.37) TGFBR1JAK3JAK2LMNANPSR1
SCHEMBL6439078 0.67 FAAH (0.36) JAK3JAK2LMNANPSR1MAPT

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