SCHEMBL2953035

SCHEMBL2953035

Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCC(NC(=O)C(F)(F)F)CC2)c2nc[nH]c2n1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.61
ADORA3 P0DMS8 1/20 0.46
PIK3CB P42338 1/20 0.45
MAPK8 P45983 1/20 0.45
PTK2 Q05397 1/20 0.45
LRRK2 Q5S007 1/20 0.45

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
SCHEMBL4766219 1.00 TTK (0.61) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL2950470 0.91 TTK (0.59) TTKPIK3CBMAPK8PTK2
SCHEMBL2950466 0.91 TTK (0.59) TTKPIK3CBMAPK8PTK2
SCHEMBL2956334 0.88 TTK (0.77) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL3705855 0.86 TTK (0.66) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL4764715 0.86 TTK (0.78) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL29446172 0.86 TTK (0.77) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL2946927 0.86 TTK (0.77) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL3702624 0.85 TTK (0.66) TTKADORA3PIK3CBMAPK8PTK2
SCHEMBL4764770 0.84 TTK (0.63) TTKADORA3PIK3CBMAPK8PTK2

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