SCHEMBL5197750

SCHEMBL5197750

CC(C)(CCC#N)n1cc(-c2ncnc3[nH]ccc23)cn1.CC(C)(CCOS(C)(=O)=O)n1cc(-c2ncnc3[nH]ccc23)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.51
JAK1 P23458 19/20 0.51
JAK3 P52333 15/20 0.51
TYK2 P29597 2/20 0.50
CIT O14578 1/20 0.50
GAK O14976 1/20 0.50
ROCK2 O75116 1/20 0.50
ULK1 O75385 1/20 0.50
PRKCB P05771 1/20 0.50
RET P07949 1/20 0.50
PRKCA P17252 1/20 0.50
PRKACA P17612 1/20 0.50
MARK3 P27448 1/20 0.50
STAT3 P40763 1/20 0.50
CLK1 P49759 1/20 0.50
CSNK1G2 P78368 1/20 0.50
PRKCD Q05655 1/20 0.50
MAP3K1 Q13233 1/20 0.50
ROCK1 Q13464 1/20 0.50
TNK1 Q13470 1/20 0.50

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
SCHEMBL99729 0.93 JAK2 (0.58) JAK2JAK1JAK3TYK2CIT
SCHEMBL101164 0.90 JAK2 (0.58) JAK2JAK1JAK3TYK2CIT
SCHEMBL28049773 0.82 JAK2 (0.53) JAK2JAK1JAK3TYK2CIT
SCHEMBL99487 0.80 JAK2 (0.60) JAK2JAK1JAK3TYK2CIT
SCHEMBL12250914 0.80 JAK2 (0.54) JAK2JAK1JAK3TYK2CIT
SCHEMBL99002 0.77 JAK2 (0.64) JAK2JAK1JAK3TYK2CIT
SCHEMBL98899 0.75 JAK2 (0.56) JAK2JAK1JAK3TYK2CIT
SCHEMBL99736 0.75 AURKB (0.56) JAK2JAK1JAK3TYK2ROCK2
SCHEMBL18602153 0.73 JAK2 (0.54) JAK2JAK1JAK3TYK2CIT
SCHEMBL20327889 0.73 JAK2 (0.53) JAK2JAK1JAK3TYK2CIT

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-1966202-A1 HETEROARYL SUBSTITUTED PYRROLOÝ2,3-B¨PYRIDINES AND PYRROLOÝ2,3-B¨PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporation (US) 2008-09-10 EP disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed