SCHEMBL1662830

SCHEMBL1662830

Cn1cc(Nc2nc(Cc3cccc(Cl)c3F)c3cn[nH]c3n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 8/20 0.41
JAK1 P23458 6/20 0.41
FLT4 P35916 7/20 0.41
KDR P35968 3/20 0.41
BTK Q06187 2/20 0.41
JAK2 O60674 3/20 0.40
TYK2 P29597 3/20 0.40
CDK19 Q9BWU1 2/20 0.39
ALK Q9UM73 2/20 0.39
PLK4 O00444 1/20 0.36
PAK4 O96013 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2C P28335 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
SCHEMBL1665417 0.90 FLT4 (0.42) JAK3JAK1FLT4KDRBTK
SCHEMBL1663028 0.88 JAK3 (0.47) JAK3JAK1BTKJAK2TYK2
SCHEMBL1662557 0.84 JAK3 (0.41) JAK3JAK1FLT4KDRBTK
SCHEMBL1662982 0.81 JAK3 (0.42) JAK3JAK1BTKJAK2TYK2
SCHEMBL1665152 0.78 JAK3 (0.46) JAK3JAK1BTKJAK2TYK2
SCHEMBL1662898 0.77 JAK3 (0.39) JAK3JAK1FLT4KDRBTK
SCHEMBL1662711 0.77 JAK3 (0.42) JAK3JAK1BTKJAK2TYK2
SCHEMBL16782663 0.73 JAK3 (0.47) JAK3JAK1FLT4KDRJAK2
SCHEMBL1662793 0.73 PLK4 (0.46) JAK3JAK1BTKJAK2TYK2
SCHEMBL14811478 0.71 JAK3 (0.44) JAK3JAK1BTKJAK2

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