SCHEMBL29446172

SCHEMBL29446172

Cc1cc(N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.77
PIK3CB P42338 1/20 0.60
MAPK8 P45983 1/20 0.60
PTK2 Q05397 1/20 0.60
ADORA3 P0DMS8 3/20 0.56
MEN1 O00255 1/20 0.56
AURKA O14965 1/20 0.56
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
TYK2 P29597 1/20 0.56
JAK3 P52333 1/20 0.56
KMT2A Q03164 1/20 0.56
AURKB Q96GD4 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
AURKC Q9UQB9 1/20 0.56

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 1.00 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL3706140 0.94 TTK (0.69) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL3697853 0.93 TTK (0.66) TTKPIK3CBMAPK8PTK2
SCHEMBL3702624 0.92 TTK (0.66) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL2956334 0.92 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4766744 0.91 TTK (0.65) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4764715 0.91 TTK (0.78) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL3709751 0.90 TTK (0.63) TTKPIK3CBMAPK8PTK2
SCHEMBL4764673 0.90 TTK (0.63) TTKPIK3CBMAPK8PTK2
SCHEMBL4764770 0.90 TTK (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed
CN-114592061-A Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-06-07 CN disclosed
CN-107567503-B Prognostic biomarkers for TTK inhibitor chemotherapy 荷兰转化研究中心有限责任公司 2022-03-22 CN disclosed