SCHEMBL7910327

SCHEMBL7910327

O=c1[nH]c2ncc(-c3ccc4cc[nH]c4c3)nc2n1-c1ccc2c(c1)CCN2

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 19/20 0.64
LRRK2 Q5S007 1/20 0.53
MTOR P42345 1/20 0.51

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
SCHEMBL7910380 0.86 MAP3K11 (0.62) MAP3K11MTOR
SCHEMBL7911755 0.85 MAP3K11 (0.66) MAP3K11
SCHEMBL722908 0.84 MAP3K11 (0.89) MAP3K11LRRK2MTOR
SCHEMBL7908179 0.84 MAP3K11 (0.54) MAP3K11LRRK2
SCHEMBL17226856 0.84 MAP3K11 (0.52) MAP3K11LRRK2
SCHEMBL7904021 0.84 MAP3K11 (0.52) MAP3K11LRRK2
SCHEMBL7906450 0.84 MAP3K11 (0.68) MAP3K11
SCHEMBL7910405 0.82 MAP3K11 (0.62) MAP3K11LRRK2
SCHEMBL12065799 0.81 MAP3K11 (0.50) MAP3K11
SCHEMBL7907784 0.80 MAP3K11 (0.74) 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