SCHEMBL7907776

SCHEMBL7907776

COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5c(c4)CCN5C)c3n2)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 19/20 0.68
LRRK2 Q5S007 1/20 0.64
FYN P06241 1/20 0.49

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
SCHEMBL12068157 0.86 MAP3K11 (0.49) MAP3K11LRRK2
SCHEMBL7907784 0.83 MAP3K11 (0.74) MAP3K11LRRK2FYN
SCHEMBL722624 0.81 MAP3K11 (1.00) MAP3K11LRRK2FYN
SCHEMBL720512 0.80 MAP3K11 (1.00) MAP3K11LRRK2FYN
SCHEMBL723157 0.80 MAP3K11 (1.00) MAP3K11LRRK2FYN
SCHEMBL721930 0.80 MAP3K11 (0.86) MAP3K11LRRK2
SCHEMBL720528 0.79 MAP3K11 (1.00) MAP3K11LRRK2FYN
SCHEMBL7899779 0.78 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL722055 0.78 MAP3K11 (0.83) MAP3K11LRRK2
SCHEMBL722934 0.78 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed