SCHEMBL7910174

SCHEMBL7910174

COc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.60
KIT P10721 12/20 0.53
DYRK1A Q13627 1/20 0.53
PIK3CA P42336 1/20 0.51
IL2 P60568 2/20 0.48
MAP4K1 Q92918 2/20 0.48
PLCG1 P19174 1/20 0.48
SLC2A1 P11166 1/20 0.48

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 0.87 KIT (0.73) KITDYRK1APIK3CASLC2A1
SCHEMBL7907903 0.86 KIT (0.70) MAP3K11KITDYRK1APIK3CASLC2A1
SCHEMBL7910407 0.85 MAP3K11 (0.47) MAP3K11KITDYRK1APIK3CAMAP4K1
SCHEMBL7899036 0.85 KIT (0.63) MAP3K11KITDYRK1APIK3CASLC2A1
SCHEMBL7908989 0.84 MAP3K11 (0.63) MAP3K11KITDYRK1APIK3CA
SCHEMBL7907491 0.84 AXL (0.64) MAP3K11KIT
SCHEMBL7906025 0.83 MAP3K11 (0.69) MAP3K11KITDYRK1APIK3CAIL2
SCHEMBL7905041 0.83 NTRK1 (0.63) MAP3K11KITDYRK1APIK3CA
SCHEMBL7906551 0.83 KIT (0.57) MAP3K11KITDYRK1APIK3CA
SCHEMBL14232640 0.81 SLC2A1 (0.48) KITDYRK1APIK3CASLC2A1

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