SCHEMBL1665097

SCHEMBL1665097

CNC(=O)Cn1cc(Nc2nc(Cc3cccc(F)n3)c3cn[nH]c3n2)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.50
BTK Q06187 15/20 0.50
JAK2 O60674 1/20 0.37
MAPT P10636 1/20 0.37
PDK2 Q15119 1/20 0.37
CCNC P24863 1/20 0.36
CDK8 P49336 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
SCHEMBL1665094 0.73 JAK3 (0.48) JAK3JAK2
SCHEMBL1663059 0.71 JAK3 (0.49) JAK3BTK
SCHEMBL1662386 0.70 PLK4 (0.50) JAK3BTKJAK2
SCHEMBL24243369 0.68 JAK3 (0.58) JAK3BTKJAK2
SCHEMBL1662830 0.68 JAK3 (0.41) JAK3BTKJAK2
SCHEMBL1663028 0.67 JAK3 (0.47) JAK3BTKJAK2
SCHEMBL22496490 0.67 JAK3 (1.00) JAK3BTK
SCHEMBL22496484 0.67 JAK3 (1.00) JAK3BTK
SCHEMBL1665152 0.67 JAK3 (0.46) JAK3BTKJAK2
SCHEMBL1665417 0.66 FLT4 (0.42) JAK3BTKJAK2

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