SCHEMBL27622945

SCHEMBL27622945

CNc1ncnc(N2CCN(C(=O)O)CC2)c1N

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KIT P10721 6/20 0.40
PIK3CA P42336 2/20 0.38
MTOR P42345 2/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
AKT1 P31749 4/20 0.37
PDGFRB P09619 2/20 0.36
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3885884 0.82 KIT (0.54) KITACHEALDH1A1
SCHEMBL794385 0.78 HTT (0.46) HTTKITPIK3CAMTORKDM4E
SCHEMBL794742 0.78 HTT (0.73) HTTKITKDM4EGAAAKT1
SCHEMBL23932500 0.72 MAPT (0.41) HTTKITPIK3CAMTORKDM4E
SCHEMBL7063580 0.71 KIT (0.47) HTTKITAKT1PDGFRBMAPK1
SCHEMBL5278122 0.70 LMNA (0.67) HTTAKT1PDGFRB
SCHEMBL3884555 0.70 FLT3 (0.44) KITAKT1PDGFRB
SCHEMBL3644224 0.70 LIMK2 (0.63) AKT1
SCHEMBL29247593 0.70 LIMK2 (0.42) KITAKT1PDGFRB
SCHEMBL25173918 0.70 MAPT (0.40) HTTKITPIK3CAMTORKDM4E

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
CN-1745080-A 1,3-dihydroimidazole fused-ring compound EISAI CO LTD (JP) 2006-03-08 CN disclosed