SCHEMBL27628682

SCHEMBL27628682

CCn1cc(NC2CCC(N)CC2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.41
JAK2 O60674 7/20 0.41
KDM1A O60341 1/20 0.40
JAK1 P23458 6/20 0.40
SMYD3 Q9H7B4 1/20 0.39
AXL P30530 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
LRRK2 Q5S007 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
CDK1 P06493 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
SCHEMBL4551581 0.92 JAK3 (0.43) JAK3JAK2KDM1AJAK1LRRK2
SCHEMBL4551034 0.86 JAK3 (0.45) JAK3JAK2JAK1LRRK2
SCHEMBL27610003 0.85 LRRK2 (0.48) JAK3JAK2KDM1AJAK1TYRO3
SCHEMBL4551805 0.84 JAK3 (0.46) JAK3JAK2JAK1
SCHEMBL20320939 0.82 JAK3 (0.40) JAK3JAK2KDM1AJAK1AXL
SCHEMBL6439881 0.82 JAK3 (0.47) JAK3JAK2JAK1LRRK2
SCHEMBL28541188 0.82 POLB (0.46) JAK3JAK2JAK1AXLLRRK2
SCHEMBL4551756 0.81 JAK3 (0.41) JAK3JAK2KDM1AJAK1LRRK2
SCHEMBL27609700 0.81 JAK3 (0.41) JAK3JAK2KDM1AJAK1LRRK2
SCHEMBL27651472 0.80 JAK3 (0.43) JAK3JAK2KDM1AJAK1

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
CN-100387598-C Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2008-05-14 CN claimed
CN-1694882-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2005-11-09 CN claimed
CN-100387598-C Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2008-05-14 CN disclosed
CN-1694882-A Pyrazolo[3,4-b]pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LTD (GB) 2005-11-09 CN disclosed