SCHEMBL7905019

SCHEMBL7905019

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5C)c3c2)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.67
MAP3K11 Q16584 6/20 0.62
LRRK2 Q5S007 2/20 0.61
MAP4K1 Q92918 6/20 0.58
IL2 P60568 4/20 0.58
DYRK1A Q13627 1/20 0.57

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
SCHEMBL7907903 0.80 KIT (0.70) KITMAP3K11LRRK2DYRK1A
SCHEMBL3769693 0.80 KIT (0.69) KITMAP3K11LRRK2MAP4K1IL2
SCHEMBL723899 0.79 MAP3K11 (0.81) KITMAP3K11LRRK2DYRK1A
SCHEMBL21592999 0.79 MAP4K1 (0.60) KITMAP4K1IL2DYRK1A
SCHEMBL721017 0.77 MAP3K11 (1.00) KITMAP3K11LRRK2DYRK1A
SCHEMBL722944 0.77 KIT (0.70) KITMAP3K11LRRK2DYRK1A
SCHEMBL22971774 0.76 MAP4K1 (0.84) MAP3K11LRRK2MAP4K1
SCHEMBL720896 0.76 MAP3K11 (1.00) KITMAP3K11LRRK2DYRK1A
SCHEMBL31061059 0.75 MAP3K11 (1.00) KITMAP3K11LRRK2DYRK1A
SCHEMBL722870 0.75 MAP3K11 (1.00) KITMAP3K11LRRK2DYRK1A

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