SCHEMBL6469770

SCHEMBL6469770

CCc1nn(CC(CC)CC)cc1NC1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 3/20 0.36
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
BRD4 O60885 2/20 0.33
SSTR4 P31391 1/20 0.33
EHMT2 Q96KQ7 5/20 0.32
EHMT1 Q9H9B1 2/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.31
DNMT1 P26358 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
AXL P30530 1/20 0.31
PDE5A O76074 1/20 0.31
EML4 Q9HC35 1/20 0.31
ALK Q9UM73 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
SCHEMBL4762000 0.75 ALDH1A1 (0.35) KDR
SCHEMBL4552449 0.73 RAB9A (0.40) KAT2B
SCHEMBL4555150 0.72 RAB9A (0.42)
SCHEMBL5185734 0.69 PDE7A (0.39) EML4ALK
SCHEMBL5176743 0.69 PDE4B (0.39) BRD4JAK2JAK1TYK2JAK3
SCHEMBL6437921 0.69 PDE4B (0.40) BRD4JAK2JAK1TYK2JAK3
SCHEMBL3422561 0.68 LMNA (0.38) KAT2BCYP3A4BRD4AXL
SCHEMBL22573028 0.68 KAT2B (0.41) KAT2BPOLBCYP3A4SSTR4EHMT2
SCHEMBL4554789 0.65 ALDH1A1 (0.49) BRD4EHMT2JAK1
SCHEMBL6450335 0.63 KHK (0.31)

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