SCHEMBL13178111

SCHEMBL13178111

COc1cc(N2CCN([S+]([O-])CCCN3CCC(N(C)C)C3)CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TTK P33981 20/20 0.54
PIK3CB P42338 1/20 0.47
MAPK8 P45983 1/20 0.47
PTK2 Q05397 1/20 0.47

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
SCHEMBL13178110 0.91 TTK (0.56) TTKPIK3CBMAPK8PTK2
SCHEMBL13178065 0.89 TTK (0.62) TTKPIK3CBMAPK8PTK2
SCHEMBL4767745 0.87 TTK (0.66) TTKPIK3CBMAPK8PTK2
SCHEMBL13178112 0.85 TTK (0.55) TTK
SCHEMBL3700229 0.82 TTK (0.69) TTKPIK3CBMAPK8PTK2
SCHEMBL3700563 0.81 TTK (0.63) TTKPIK3CBMAPK8PTK2
SCHEMBL3253947 0.80 TTK (0.68) TTKPIK3CBMAPK8PTK2
SCHEMBL4767536 0.80 TTK (0.60) TTKPIK3CBMAPK8PTK2
SCHEMBL3708381 0.79 TTK (0.65) TTKPIK3CBMAPK8PTK2
SCHEMBL3702420 0.79 TTK (0.69) 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 disclosed