SCHEMBL12801607

SCHEMBL12801607

Nc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 2/20 0.65
▸ JAK2 O60674 14/20 0.64
▸ SMG1 Q96Q15 1/20 0.56
▸ STAT6 P42226 1/20 0.55
▸ JAK3 P52333 2/20 0.54
▸ MAPK8 P45983 1/20 0.53
▸ MAPK10 P53779 1/20 0.53
▸ MYLK4 Q86YV6 1/20 0.53
▸ STK17A Q9UEE5 1/20 0.53

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
SCHEMBL12801271 0.92 JAK2 (0.61) PLK4JAK2JAK3MAPK8MAPK10
SCHEMBL12801089 0.90 JAK2 (0.61) PLK4JAK2SMG1JAK3MAPK8
SCHEMBL12274670 0.87 JAK2 (0.63) PLK4JAK2SMG1JAK3MAPK8
SCHEMBL12801263 0.84 JAK2 (0.71) PLK4JAK2JAK3MAPK8MAPK10
SCHEMBL12801110 0.84 JAK2 (0.66) PLK4JAK2SMG1JAK3MAPK8
SCHEMBL12801273 0.83 JAK2 (0.78) PLK4JAK2SMG1JAK3MAPK8
SCHEMBL12800920 0.82 JAK2 (0.68) PLK4JAK2JAK3MAPK8MAPK10
SCHEMBL12801702 0.81 JAK2 (0.64) JAK2JAK3MAPK8MAPK10MYLK4
SCHEMBL12801620 0.81 JAK2 (0.66) JAK2JAK3
SCHEMBL12801098 0.80 JAK2 (0.76) JAK2JAK3

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-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 — — WO disclosed
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