SCHEMBL12801112

SCHEMBL12801112

Nc1cccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 1.00
▸ MAPK8 P45983 3/20 0.71
▸ MAPK10 P53779 3/20 0.71
▸ CAMK2D Q13557 1/20 0.68
▸ PLK4 O00444 1/20 0.67
▸ JAK3 P52333 3/20 0.66
▸ TYK2 P29597 2/20 0.66
▸ JAK1 P23458 2/20 0.66
▸ PLK1 P53350 1/20 0.65
▸ SMG1 Q96Q15 1/20 0.62

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
SCHEMBL12274649 0.87 JAK2 (0.77) JAK2MAPK8MAPK10CAMK2DPLK4
SCHEMBL12274500 0.87 CAMK2D (0.81) JAK2MAPK8MAPK10CAMK2DPLK4
SCHEMBL4383881 0.86 JAK2 (0.78) JAK2PLK4JAK3TYK2JAK1
SCHEMBL28254694 0.86 JAK2 (1.00) JAK2MAPK8MAPK10PLK4JAK3
SCHEMBL12801273 0.86 JAK2 (0.78) JAK2MAPK8MAPK10CAMK2DPLK4
SCHEMBL3622937 0.85 JAK2 (0.80) JAK2MAPK8MAPK10CAMK2DJAK3
SCHEMBL3758720 0.85 MAPK8 (0.75) JAK2MAPK8MAPK10CAMK2DJAK3
Hydrochloric Acid SCHEMBL4377167 0.85 JAK2 (0.77) JAK2PLK4JAK3TYK2JAK1
SCHEMBL12800906 0.85 JAK2 (0.74) JAK2MAPK8MAPK10CAMK2DPLK4
SCHEMBL3750610 0.84 JAK2 (0.72) JAK2MAPK8MAPK10CAMK2DJAK3

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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