SCHEMBL16488308

SCHEMBL16488308

C=C(Nc1ccccc1)N1CC[C@@H](C)C(N(C)c2ccnc3[nH]ccc23)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.49
JAK2 O60674 13/20 0.49
JAK1 P23458 11/20 0.49
TYK2 P29597 5/20 0.48
PKN2 Q16513 3/20 0.47
AURKB Q96GD4 2/20 0.47
ROCK2 O75116 2/20 0.45
MARK3 P27448 2/20 0.45
PRKCD Q05655 2/20 0.45
STK3 Q13188 2/20 0.45
ROCK1 Q13464 2/20 0.45
CAMK2D Q13557 2/20 0.45
LRRK2 Q5S007 2/20 0.45
MARK2 Q7KZI7 2/20 0.45
MAP4K3 Q8IVH8 1/20 0.45
MAP4K5 Q9Y4K4 1/20 0.45
DCLK1 O15075 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL350927 0.89 JAK2 (0.60) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10080592 0.89 JAK2 (0.60) JAK3JAK2JAK1TYK2PKN2
SCHEMBL19884808 0.85 JAK3 (0.48) JAK3JAK2JAK1TYK2PKN2
SCHEMBL3310944 0.84 JAK3 (0.58) JAK3JAK2JAK1TYK2PKN2
SCHEMBL5547732 0.83 JAK3 (0.57) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062097 0.83 JAK3 (0.57) JAK3JAK2JAK1TYK2PKN2
SCHEMBL352822 0.83 JAK3 (0.57) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10080601 0.82 JAK3 (0.53) JAK3JAK2JAK1TYK2PKN2
SCHEMBL351862 0.82 JAK3 (0.53) JAK3JAK2JAK1TYK2PKN2
SCHEMBL10062092 0.82 JAK3 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828181-B1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2015-02-18 EP disclosed