SCHEMBL5546685

SCHEMBL5546685

CCC1CCN(C(=O)NCc2nccs2)CC1N(C)c1ccnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.46
JAK2 O60674 13/20 0.42
JAK3 P52333 15/20 0.40
TYK2 P29597 4/20 0.39
PKN2 Q16513 3/20 0.39
AURKB Q96GD4 2/20 0.39
ROCK2 O75116 2/20 0.37
MARK3 P27448 2/20 0.37
PRKCD Q05655 2/20 0.37
STK3 Q13188 2/20 0.37
ROCK1 Q13464 2/20 0.37
CAMK2D Q13557 2/20 0.37
LRRK2 Q5S007 2/20 0.37
MARK2 Q7KZI7 2/20 0.37
MAP4K3 Q8IVH8 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
DCLK1 O15075 1/20 0.37
ABL1 P00519 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL10062156 0.90 JAK3 (0.49) JAK1JAK2JAK3TYK2PKN2
SCHEMBL352093 0.90 JAK3 (0.49) JAK1JAK2JAK3TYK2PKN2
SCHEMBL353084 0.83 JAK1 (0.52) JAK1JAK2JAK3TYK2PKN2
SCHEMBL352083 0.79 JAK3 (0.56) JAK1JAK2JAK3TYK2PKN2
SCHEMBL10080595 0.79 JAK3 (0.56) JAK1JAK2JAK3TYK2PKN2
SCHEMBL10080600 0.78 JAK3 (0.55) JAK1JAK2JAK3TYK2PKN2
SCHEMBL351915 0.78 JAK3 (0.55) JAK1JAK2JAK3TYK2PKN2
SCHEMBL353334 0.77 JAK3 (0.55) JAK1JAK2JAK3TYK2PKN2
SCHEMBL10080260 0.77 JAK3 (0.55) JAK1JAK2JAK3TYK2PKN2
SCHEMBL10079839 0.76 JAK3 (0.52) JAK1JAK2JAK3TYK2PKN2

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-1828181-A2 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2007-09-05 EP claimed
WO-2006069080-A2 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2006-06-29 WO claimed