SCHEMBL7899036

SCHEMBL7899036

COc1cc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIT P10721 14/20 0.63
MAP3K11 Q16584 2/20 0.62
DYRK1A Q13627 2/20 0.61
NTRK1 P04629 3/20 0.58
PIK3CA P42336 2/20 0.56
SLC2A1 P11166 1/20 0.56
AAK1 Q2M2I8 1/20 0.54
LRRK2 Q5S007 1/20 0.54

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 0.92 KIT (0.73) KITDYRK1APIK3CASLC2A1AAK1
SCHEMBL7907903 0.89 KIT (0.70) KITMAP3K11DYRK1APIK3CASLC2A1
SCHEMBL7910174 0.85 MAP3K11 (0.60) KITMAP3K11DYRK1APIK3CASLC2A1
SCHEMBL7906551 0.84 KIT (0.57) KITMAP3K11DYRK1ANTRK1PIK3CA
SCHEMBL7905041 0.84 NTRK1 (0.63) KITMAP3K11DYRK1ANTRK1PIK3CA
SCHEMBL7910200 0.84 KIT (0.58) KITDYRK1ANTRK1PIK3CASLC2A1
SCHEMBL7908343 0.83 MAP4K1 (0.54) KITMAP3K11NTRK1PIK3CAAAK1
SCHEMBL7908989 0.83 MAP3K11 (0.63) KITMAP3K11DYRK1ANTRK1PIK3CA
SCHEMBL12066048 0.83 MAP4K1 (0.65) KITMAP3K11DYRK1ANTRK1LRRK2
SCHEMBL7905848 0.81 KIT (0.60) KITDYRK1APIK3CASLC2A1AAK1

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