SCHEMBL7910407

SCHEMBL7910407

CNc1ccc(-c2cnc3[nH]cc(-c4ccc5c(c4)CCN5)c3c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 4/20 0.47
PLCG1 P19174 1/20 0.47
KIT P10721 7/20 0.46
DYRK1A Q13627 3/20 0.46
MAP4K1 Q92918 1/20 0.46
CLK1 P49759 1/20 0.45
DYRK2 Q92630 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
NTRK1 P04629 2/20 0.45
PIK3CA P42336 1/20 0.45
AXL P30530 1/20 0.44
CDK8 P49336 1/20 0.44
TNIK Q9UKE5 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL7908989 0.86 MAP3K11 (0.63) MAP3K11KITDYRK1ACLK1DYRK2
SCHEMBL7907491 0.85 AXL (0.64) MAP3K11KITNTRK1AXLCDK8
SCHEMBL7910174 0.85 MAP3K11 (0.60) MAP3K11PLCG1KITDYRK1AMAP4K1
SCHEMBL7906025 0.85 MAP3K11 (0.69) MAP3K11KITDYRK1AMAP4K1CLK1
SCHEMBL7905041 0.84 NTRK1 (0.63) MAP3K11KITDYRK1ACLK1DYRK2
SCHEMBL7906551 0.84 KIT (0.57) MAP3K11KITDYRK1ACLK1DYRK2
SCHEMBL7913828 0.83 MAP3K11 (0.67) MAP3K11MAP4K1NTRK1TNIK
SCHEMBL7903775 0.82 KIT (0.73) KITDYRK1APIK3CA
SCHEMBL7912925 0.81 MAP3K11 (0.51) MAP3K11MAP4K1NTRK1TNIK
SCHEMBL7907903 0.81 KIT (0.70) MAP3K11KITDYRK1APIK3CA

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