SCHEMBL2946362

SCHEMBL2946362

COc1cc(C2=CCN=CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.46
CLK1 P49759 1/20 0.45
CLK2 P49760 1/20 0.45
PIK3CB P42338 1/20 0.43
MAPK8 P45983 1/20 0.43
PTK2 Q05397 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43

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
SCHEMBL3694873 0.84 TTK (0.50) TTKCLK1CLK2PIK3CBMAPK8
SCHEMBL3711102 0.83 TTK (0.51) TTKCLK1CLK2PIK3CBMAPK8
SCHEMBL3699681 0.82 TTK (0.50) TTKCLK1CLK2PIK3CBMAPK8
SCHEMBL4766150 0.81 TTK (0.54) TTKPIK3CBMAPK8PTK2
SCHEMBL3040661 0.81 TTK (0.53) TTKCLK1CLK2PIK3CBMAPK8
SCHEMBL4766022 0.81 TTK (0.52) TTKCLK1CLK2PIK3CBMAPK8
SCHEMBL3707025 0.79 TTK (0.55) TTKPIK3CBMAPK8PTK2CCNA2
SCHEMBL3253947 0.78 TTK (0.68) TTKPIK3CBMAPK8PTK2
SCHEMBL3260718 0.78 TTK (0.50) TTKPIK3CBMAPK8PTK2CCNA2
SCHEMBL2948829 0.77 TTK (0.55) TTKPIK3CBMAPK8PTK2

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-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed