SCHEMBL5547673

SCHEMBL5547673

CC1CCN(C(=O)N2CC(C#N)C(C#N)C2)CC1N(C)c1ccnc2[nH]ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.58
JAK2 O60674 11/20 0.58
JAK1 P23458 11/20 0.58
TYK2 P29597 6/20 0.58
PKN2 Q16513 4/20 0.54
ROCK2 O75116 3/20 0.54
PRKCD Q05655 3/20 0.54
STK3 Q13188 3/20 0.54
ROCK1 Q13464 3/20 0.54
CAMK2D Q13557 3/20 0.54
LRRK2 Q5S007 3/20 0.54
MARK3 P27448 2/20 0.54
MARK2 Q7KZI7 2/20 0.54
AURKB Q96GD4 2/20 0.54
DCLK1 O15075 2/20 0.54
ABL1 P00519 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
RET P07949 2/20 0.54
DMPK Q09013 2/20 0.54

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
SCHEMBL10062183 1.00 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL352328 1.00 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL352826 0.96 JAK3 (0.56) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062181 0.96 JAK3 (0.56) JAK3JAK2JAK1TYK2PKN2
SCHEMBL352297 0.93 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062175 0.93 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL352300 0.93 JAK3 (0.53) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062178 0.93 JAK3 (0.53) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062162 0.91 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062157 0.91 JAK3 (0.61) JAK3JAK2JAK1TYK2PKN2

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