SCHEMBL1662850

SCHEMBL1662850

CC(C)(C)OC(=O)N1CCC(Cn2cc(Nc3nc(Cc4cccc(N5CCOCC5)c4)c4cn[nH]c4n3)cn2)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.43
USP30 Q70CQ3 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
JAK3 P52333 12/20 0.41
JAK2 O60674 1/20 0.41
PTK2 Q05397 1/20 0.41
BTK Q06187 12/20 0.41
TGFBR1 P36897 1/20 0.40
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND2 P30279 1/20 0.37
CCND3 P30281 1/20 0.37
EGFR P00533 1/20 0.37
TTK P33981 1/20 0.36

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
SCHEMBL1662581 0.96 BTK (0.44) PLK4USP30IDO1TDO2JAK3
SCHEMBL1662847 0.83 JAK3 (0.45) USP30JAK3JAK2PTK2BTK
SCHEMBL1662580 0.80 JAK3 (0.44) USP30JAK3JAK2PTK2BTK
SCHEMBL1662386 0.80 PLK4 (0.50) PLK4JAK3JAK2PTK2BTK
SCHEMBL1662994 0.78 PLK4 (0.53) PLK4JAK3JAK2BTKTTK
SCHEMBL1662604 0.78 PLK4 (0.47) PLK4JAK3JAK2BTKTTK
SCHEMBL12002573 0.77 PLK4 (0.51) PLK4JAK3JAK2BTKTTK
SCHEMBL1662699 0.74 PLK4 (0.43) PLK4JAK3PTK2BTKTTK
SCHEMBL27885779 0.71 JAK3 (0.46) JAK3JAK2BTKCDK4CCND1
SCHEMBL27233602 0.69 USP30 (0.58) USP30TGFBR1

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-2491039-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS Cellzome Limited (GB) 2012-08-29 EP disclosed
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed