SCHEMBL1634307

SCHEMBL1634307

c1cc(N2CCOCC2)ccc1Nc1ncc2cc(-c3cn[nH]c3)c(OC3CCNCC3)cc2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.55
JUN P05412 1/20 0.55
MAPK8 P45983 1/20 0.55
SYK P43405 3/20 0.49
TBK1 Q9UHD2 5/20 0.48
JAK2 O60674 5/20 0.48
LRRK2 Q5S007 2/20 0.46
MYLK4 Q86YV6 1/20 0.46
STK17A Q9UEE5 1/20 0.46
MAP4K1 Q92918 1/20 0.44
CDK4 P11802 3/20 0.43
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
CCND1 P24385 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
MAPKAPK5 Q8IW41 2/20 0.42
JAK3 P52333 1/20 0.42
AURKA O14965 1/20 0.42
CDK6 Q00534 1/20 0.41

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
SCHEMBL1633572 0.91 MAP4K1 (0.53) MAPK10JUNMAPK8TBK1JAK2
SCHEMBL1633838 0.89 MAPK10 (0.51) MAPK10JUNMAPK8TBK1JAK2
SCHEMBL1633301 0.88 MAPK10 (0.53) MAPK10JUNMAPK8SYKTBK1
SCHEMBL1634531 0.87 SYK (0.47) MAPK10JUNMAPK8SYKTBK1
SCHEMBL1870096 0.86 MAPK10 (0.58) MAPK10JUNMAPK8JAK2LRRK2
SCHEMBL1634794 0.85 CDK4 (0.51) MAPK10SYKTBK1JAK2LRRK2
SCHEMBL1633015 0.85 CDK4 (0.51) MAPK10SYKTBK1JAK2LRRK2
SCHEMBL1633436 0.84 MAPK10 (0.50) MAPK10JUNMAPK8SYKTBK1
SCHEMBL1632917 0.84 SYK (0.50) MAPK10JUNMAPK8SYKTBK1
SCHEMBL1633826 0.83 TBK1 (0.62) SYKTBK1JAK2LRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed