SCHEMBL1662711

SCHEMBL1662711

Cn1cc(Nc2nc(Cc3cccc(I)c3)c3cn[nH]c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.42
BTK Q06187 5/20 0.42
IGF1R P08069 5/20 0.39
PLK4 O00444 2/20 0.38
JAK2 O60674 4/20 0.38
JAK1 P23458 3/20 0.38
TYK2 P29597 2/20 0.38
PTK2 Q05397 1/20 0.36
EGFR P00533 1/20 0.35
METAP2 P50579 1/20 0.35
PAK4 O96013 1/20 0.35

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 0.83 PLK4 (0.46) JAK3BTKIGF1RPLK4JAK2
SCHEMBL14811478 0.81 JAK3 (0.44) JAK3BTKJAK2JAK1EGFR
SCHEMBL1665417 0.78 FLT4 (0.42) JAK3BTKPLK4JAK2JAK1
SCHEMBL1662830 0.77 JAK3 (0.41) JAK3BTKPLK4JAK2JAK1
SCHEMBL1662898 0.77 JAK3 (0.39) JAK3BTKJAK2JAK1TYK2
SCHEMBL1662982 0.77 JAK3 (0.42) JAK3BTKPLK4JAK2JAK1
SCHEMBL1663028 0.76 JAK3 (0.47) JAK3BTKIGF1RJAK2JAK1
SCHEMBL1662557 0.76 JAK3 (0.41) JAK3BTKIGF1RPLK4JAK2
SCHEMBL1665152 0.76 JAK3 (0.46) JAK3BTKJAK2JAK1TYK2
SCHEMBL1663011 0.73 TTK (0.45) JAK3BTKPLK4JAK2PTK2

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