SCHEMBL3396039

SCHEMBL3396039

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1N(C)c1ccnc(N)c1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.56
JAK2 O60674 3/20 0.56
JAK1 P23458 2/20 0.56
TYK2 P29597 2/20 0.56
ACHE P22303 2/20 0.41
ROCK1 Q13464 3/20 0.41
ROCK2 O75116 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
SLC2A1 P11166 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL352896 0.80 JAK1 (0.73) JAK3JAK2JAK1TYK2
SCHEMBL10062083 0.80 JAK1 (0.73) JAK3JAK2JAK1TYK2
Hydrochloric Acid SCHEMBL2105371 0.79 JAK3 (0.56) JAK3JAK2JAK1TYK2ACHE
SCHEMBL9920437 0.78 JAK2 (0.50) JAK3JAK2JAK1TYK2ACHE
SCHEMBL17718758 0.76 ACHE (0.57) JAK3JAK2JAK1TYK2ACHE
SCHEMBL2320056 0.76 ACHE (0.57) JAK3JAK2JAK1TYK2ACHE
SCHEMBL20624405 0.75 ACHE (0.55) JAK3JAK2JAK1TYK2ACHE
SCHEMBL18559428 0.73 JAK2 (0.44) JAK3JAK2JAK1TYK2KCNH2
SCHEMBL9918648 0.73 JAK3 (0.61) JAK3JAK2JAK1TYK2ACHE
SCHEMBL1847730 0.71 JAK3 (0.62) JAK3JAK2JAK1TYK2ACHE

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
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed