SCHEMBL6456034

SCHEMBL6456034

CCn1cc(N(Cc2ccc(C(N)=O)cc2)C2CCCCC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
JAK3 P52333 7/20 0.39
LCK P06239 3/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 3/20 0.38
MAPT P10636 2/20 0.36
F2 P00734 1/20 0.36
S1PR1 P21453 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
ENPP2 Q13822 1/20 0.36
AGER Q15109 3/20 0.35
MTNR1A P48039 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
GFER P55789 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PROKR1 Q8TCW9 1/20 0.35

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
SCHEMBL6461886 0.89 TGFBR1 (0.41) TGFBR1JAK3JAK2JAK1S1PR1
SCHEMBL6453841 0.82 SLC6A2 (0.39) MAPTS1PR1AGERMTNR1ALMNA
SCHEMBL6464368 0.81 TGFBR1 (0.41) TGFBR1JAK3JAK2JAK1
SCHEMBL6458237 0.81 TGFBR1 (0.41) TGFBR1JAK3JAK2JAK1MAPT
SCHEMBL6450611 0.77 SLC6A2 (0.40) TGFBR1MAPTLMNA
SCHEMBL6450409 0.73 MAPK1 (0.40) MAPTLMNAGFER
SCHEMBL6454933 0.73 TP53 (0.37) TGFBR1S1PR1LMNAPROKR1
SCHEMBL6455548 0.73 CA2 (0.39) S1PR1
SCHEMBL6451777 0.72 KMT2A (0.38) TGFBR1JAK3JAK2JAK1LMNA
SCHEMBL3090217 0.71 HRH3 (0.64) JAK3LCKAGERMTNR1A

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 4 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
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