SCHEMBL2954789

SCHEMBL2954789

CCN1CCC(Nc2nc(Nc3ccc(N4CCOCC4)cc3C)nc3[nH]cnc23)CC1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 19/20 0.63
PIK3CB P42338 1/20 0.49
MAPK8 P45983 1/20 0.49
PTK2 Q05397 1/20 0.49
ADORA3 P0DMS8 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
SCHEMBL2946927 0.90 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL29446172 0.90 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL2956334 0.89 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL3702624 0.89 TTK (0.66) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4764772 0.89 TTK (0.63) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4766744 0.88 TTK (0.65) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4764715 0.88 TTK (0.78) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4765064 0.88 TTK (0.79) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4766198 0.88 TTK (0.80) TTKPIK3CBMAPK8PTK2
SCHEMBL3705855 0.87 TTK (0.66) TTKPIK3CBMAPK8PTK2ADORA3

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