SCHEMBL7908343

SCHEMBL7908343

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3n2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 1/20 0.54
MAPK1 P28482 9/20 0.47
MAP3K11 Q16584 3/20 0.43
KIT P10721 6/20 0.42
AAK1 Q2M2I8 1/20 0.42
NTRK1 P04629 1/20 0.41
PIK3CA P42336 1/20 0.41

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
SCHEMBL7905131 0.90 MAP4K1 (0.54) MAP4K1MAPK1MAP3K11KITAAK1
SCHEMBL7899036 0.83 KIT (0.63) MAP3K11KITAAK1NTRK1PIK3CA
SCHEMBL7913447 0.80 MAP4K1 (0.56) MAP4K1MAPK1MAP3K11KIT
SCHEMBL722601 0.79 MAP3K11 (0.58) MAP4K1MAPK1MAP3K11KITAAK1
SCHEMBL7903775 0.75 KIT (0.73) KITAAK1PIK3CA
SCHEMBL7910405 0.75 MAP3K11 (0.62) MAP3K11
SCHEMBL7907903 0.74 KIT (0.70) MAP3K11KITPIK3CA
SCHEMBL12343679 0.71 AAK1 (0.65) MAP4K1MAPK1MAP3K11KITAAK1
SCHEMBL28795819 0.71 MAP3K11 (0.58) MAP4K1MAPK1MAP3K11KITAAK1
SCHEMBL7910174 0.70 MAP3K11 (0.60) MAP4K1MAP3K11KITPIK3CA

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