SCHEMBL7910200

SCHEMBL7910200

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)ccc1OCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 15/20 0.58
DYRK1A Q13627 2/20 0.58
NTRK1 P04629 1/20 0.57
PIK3CA P42336 1/20 0.54
SLC2A1 P11166 1/20 0.54
AAK1 Q2M2I8 1/20 0.52
MAP4K1 Q92918 1/20 0.52

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
SCHEMBL7903775 0.89 KIT (0.73) KITDYRK1APIK3CASLC2A1AAK1
SCHEMBL7905848 0.85 KIT (0.60) KITDYRK1APIK3CASLC2A1AAK1
SCHEMBL7899036 0.84 KIT (0.63) KITDYRK1ANTRK1PIK3CASLC2A1
SCHEMBL7907903 0.83 KIT (0.70) KITDYRK1APIK3CASLC2A1
SCHEMBL7910174 0.81 MAP3K11 (0.60) KITDYRK1APIK3CASLC2A1MAP4K1
SCHEMBL12763552 0.80 AAK1 (0.62) KITDYRK1ANTRK1SLC2A1AAK1
SCHEMBL722517 0.80 MAP3K11 (0.79) KITDYRK1ANTRK1AAK1
SCHEMBL7912925 0.79 MAP3K11 (0.51) NTRK1MAP4K1
SCHEMBL15553827 0.79 KIT (0.66) KITDYRK1ANTRK1PIK3CASLC2A1
SCHEMBL12066048 0.79 MAP4K1 (0.65) KITDYRK1ANTRK1MAP4K1

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