SCHEMBL1662898

SCHEMBL1662898

Cn1cc(Nc2nc(Cc3ccccc3OCc3ccccc3)c3cn[nH]c3n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.39
JAK2 O60674 4/20 0.39
JAK1 P23458 4/20 0.39
TYK2 P29597 3/20 0.39
BTK Q06187 1/20 0.39
CDK19 Q9BWU1 3/20 0.38
ALK Q9UM73 3/20 0.38
FLT4 P35916 7/20 0.38
KDR P35968 3/20 0.38
LRRK2 Q5S007 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PRMT5 O14744 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
SCHEMBL1663028 0.82 JAK3 (0.47) JAK3JAK2JAK1TYK2BTK
SCHEMBL1665417 0.79 FLT4 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662830 0.77 JAK3 (0.41) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662982 0.77 JAK3 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662711 0.77 JAK3 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL1665152 0.76 JAK3 (0.46) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662557 0.74 JAK3 (0.41) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662793 0.73 PLK4 (0.46) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662896 0.72 JAK3 (0.48) JAK3JAK2JAK1TYK2CDK19
SCHEMBL14811478 0.71 JAK3 (0.44) JAK3JAK2JAK1BTK

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