SCHEMBL7904021

SCHEMBL7904021

O=c1[nH]c2ncc(-c3cc(F)cc(F)c3)nc2n1-c1ccc2c(c1)CCN2

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 20/20 0.52
LRRK2 Q5S007 1/20 0.44

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
SCHEMBL12065799 0.90 MAP3K11 (0.50) MAP3K11
SCHEMBL17226856 0.88 MAP3K11 (0.52) MAP3K11LRRK2
SCHEMBL7908179 0.88 MAP3K11 (0.54) MAP3K11LRRK2
SCHEMBL7911755 0.88 MAP3K11 (0.66) MAP3K11
SCHEMBL7910380 0.86 MAP3K11 (0.62) MAP3K11
SCHEMBL7907784 0.84 MAP3K11 (0.74) MAP3K11LRRK2
SCHEMBL7910327 0.84 MAP3K11 (0.64) MAP3K11LRRK2
SCHEMBL7906450 0.82 MAP3K11 (0.68) MAP3K11
SCHEMBL7913036 0.81 MAP3K11 (0.54) MAP3K11
SCHEMBL7910405 0.81 MAP3K11 (0.62) 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