SCHEMBL1663059

SCHEMBL1663059

FC(F)Cn1cc(Nc2nc(Cc3ccccc3)c3cn[nH]c3n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.49
BTK Q06187 14/20 0.49
PTK2 Q05397 1/20 0.47
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
FLT4 P35916 1/20 0.41
PLK4 O00444 1/20 0.37

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
SCHEMBL2591069 0.76 JAK3 (0.48) JAK3BTKPTK2FLT4
SCHEMBL1662570 0.74 LRRK2 (0.42) HTR2AHTR2CPLK4
SCHEMBL1663056 0.72 JAK3 (0.49) JAK3PTK2FLT4
SCHEMBL1662711 0.72 JAK3 (0.42) JAK3BTKPTK2PLK4
SCHEMBL1663991 0.71 JAK3 (0.39) JAK3BTK
SCHEMBL1662522 0.71 PTK6 (0.42) JAK3HTR2AHTR2CFLT4PLK4
SCHEMBL1665097 0.71 JAK3 (0.50) JAK3BTK
SCHEMBL1662898 0.71 JAK3 (0.39) JAK3BTKHTR2AHTR2CFLT4
SCHEMBL1662830 0.69 JAK3 (0.41) JAK3BTKHTR2CFLT4PLK4
SCHEMBL1662793 0.68 PLK4 (0.46) JAK3BTKPLK4

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