SCHEMBL4013679

SCHEMBL4013679

COc1cc(-n2c(=O)[nH]c3nccnc32)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 15/20 0.55
LRRK2 Q5S007 1/20 0.48
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45
BRD4 O60885 1/20 0.43

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
SCHEMBL721831 0.76 MEN1 (0.36) MAP3K11
SCHEMBL30799999 0.72 MAP3K11 (0.45) MAP3K11GSK3B
SCHEMBL30615391 0.72 ALDH1A1 (0.61) MAP3K11
SCHEMBL723157 0.71 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL722100 0.71 MAP3K11 (0.43) MAP3K11GSK3B
SCHEMBL23926962 0.71 MAP3K11 (0.45) MAP3K11LRRK2
SCHEMBL30079230 0.71 MAP3K11 (0.45) MAP3K11LRRK2
SCHEMBL722624 0.70 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL34462992 0.70 GSK3B (0.42) MAP3K11GSK3B
SCHEMBL720512 0.70 MAP3K11 (1.00) MAP3K11LRRK2

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
EP-1796467-A4 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 EP disclosed
EP-1796467-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-20 EP disclosed
WO-2006036883-A2 IMIDAZO{4,5-B}PYRAZINONE INHIBITORS OF PROTEIN KINASES JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO disclosed