SCHEMBL7907784

SCHEMBL7907784

COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5c(c4)CCN5)c3n2)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 19/20 0.74
LRRK2 Q5S007 1/20 0.65
FYN P06241 1/20 0.50

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
SCHEMBL7910405 0.90 MAP3K11 (0.62) MAP3K11LRRK2
SCHEMBL7908179 0.86 MAP3K11 (0.54) MAP3K11LRRK2
SCHEMBL18197630 0.85 MAP3K11 (1.00) MAP3K11LRRK2
SCHEMBL17226856 0.84 MAP3K11 (0.52) MAP3K11LRRK2
SCHEMBL7904021 0.84 MAP3K11 (0.52) MAP3K11LRRK2
SCHEMBL7911755 0.84 MAP3K11 (0.66) MAP3K11
SCHEMBL7907776 0.83 MAP3K11 (0.68) MAP3K11LRRK2FYN
SCHEMBL7910380 0.82 MAP3K11 (0.62) MAP3K11
SCHEMBL7897792 0.82 MAP3K11 (0.74) MAP3K11LRRK2
SCHEMBL722624 0.82 MAP3K11 (1.00) MAP3K11LRRK2FYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011149950-A2 BICYCLIC HETEROARYL KINASE INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2011-12-01 WO disclosed
WO-2010068483-A2 MLK INHIBITORS AND METHODS OF USE UNIVERSITY OF ROCHESTER (US) 2010-06-17 WO disclosed