SCHEMBL1663034

SCHEMBL1663034

OCCn1cc(Nc2nc(Cc3cc(N4CCNCC4)cc(F)c3F)c3cn[nH]c3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.39
BTK Q06187 12/20 0.39
JAK2 O60674 4/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 3/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
FGFR3 P22607 1/20 0.35
KCNH2 Q12809 1/20 0.35
FLT4 P35916 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
SCHEMBL672447 0.76 JAK2 (0.43) JAK3JAK2JAK1TYK2AXL
SCHEMBL1663991 0.73 JAK3 (0.39) JAK3BTKJAK2JAK1TYK2
SCHEMBL1662793 0.72 PLK4 (0.46) JAK3BTKJAK2JAK1TYK2
SCHEMBL1662994 0.69 PLK4 (0.53) JAK3BTKJAK2JAK1
SCHEMBL1662982 0.69 JAK3 (0.42) JAK3BTKJAK2JAK1TYK2
SCHEMBL1662557 0.68 JAK3 (0.41) JAK3BTKJAK2JAK1TYK2
SCHEMBL1663011 0.67 TTK (0.45) JAK3BTKJAK2HTR2AHTR2C
SCHEMBL15122400 0.67 STAT6 (0.52) JAK3JAK2JAK1TYK2AXL
SCHEMBL10203364 0.67 STAT6 (0.44) JAK3JAK2JAK1TYK2FGFR3
SCHEMBL1662894 0.66 PLK4 (0.38) JAK3BTKJAK2JAK1TYK2

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