SCHEMBL1025527

SCHEMBL1025527

O=C(COC(=O)C(F)(F)F)OC1CCN(c2ccncc2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
GPR6 P46095 7/20 0.37
ROCK2 O75116 2/20 0.36
PRKG1 Q13976 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
CHRM1 P11229 1/20 0.36
GRM5 P41594 1/20 0.35
CYP19A1 P11511 1/20 0.35
AOC3 Q16853 1/20 0.35
GSK3B P49841 2/20 0.35
PRKCQ Q04759 2/20 0.35
FLT3 P36888 1/20 0.35
PRKCA P17252 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35

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
Acetic Acid SCHEMBL1025524 0.84 CYP46A1 (0.41) CYP46A1GPR6ROCK2PRKG1CYP19A1
SCHEMBL1027705 0.78 CYP46A1 (0.39) CYP46A1GPR6ROCK2PRKG1GPR119
SCHEMBL1027045 0.78 MAPT (0.43) MAPTSMN1; SMN2AOC3
SCHEMBL1024083 0.78 KDM4E (0.45) MAPTSMN1; SMN2GPR119
SCHEMBL1026519 0.77 MAPT (0.40) MAPTSMN1; SMN2
SCHEMBL1026463 0.75 FFAR1 (0.45) MAPTSMN1; SMN2
SCHEMBL1024811 0.75 THRB (0.41) MAPTGPR6GRM5
SCHEMBL1026902 0.74 HRH3 (0.41) MAPTSMN1; SMN2GPR119
SCHEMBL1026171 0.74 HRH3 (0.46) MAPTSMN1; SMN2
SCHEMBL1025111 0.72 HTR3E (0.49) MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274288-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS Incyte Corporation (US) 2011-01-19 EP disclosed
WO-2009132202-A2 MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-10-29 WO disclosed