SCHEMBL1663011

SCHEMBL1663011

Cn1cc(Nc2nc(Cc3cc(F)cc(N4CCOCC4)c3)c3cn[nH]c3n2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 3/20 0.45
PLK4 O00444 1/20 0.44
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
BTK Q06187 6/20 0.40
JAK3 P52333 4/20 0.39
STAT6 P42226 2/20 0.39
NTRK1 P04629 1/20 0.39
SYK P43405 1/20 0.38
EGFR P00533 1/20 0.38
KDR P35968 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
ABL1 P00519 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 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
SCHEMBL1662793 0.78 PLK4 (0.46) TTKPLK4BTKJAK3EGFR
SCHEMBL1662994 0.77 PLK4 (0.53) TTKPLK4BTKJAK3JAK2
SCHEMBL671179 0.76 STAT6 (0.54) JAK3STAT6NTRK1SYKRPS6KA3
SCHEMBL1662386 0.76 PLK4 (0.50) TTKPLK4BTKJAK3JAK2
SCHEMBL1662982 0.75 JAK3 (0.42) PLK4HTR2AHTR2CBTKJAK3
SCHEMBL1662557 0.74 JAK3 (0.41) PLK4HTR2AHTR2CBTKJAK3
SCHEMBL12002573 0.73 PLK4 (0.51) TTKPLK4HTR2ABTKJAK3
SCHEMBL1662711 0.73 JAK3 (0.42) PLK4BTKJAK3EGFRJAK2
SCHEMBL13838181 0.73 STAT6 (0.75) JAK3STAT6JAK2RPS6KA3
SCHEMBL1663991 0.72 JAK3 (0.39) BTKJAK3EGFRJAK2

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