SCHEMBL1663991

SCHEMBL1663991

OCCn1cc(Nc2nc(Cc3cc(F)cc(Br)c3)c3cn[nH]c3n2)cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 3/20 0.39
BTK Q06187 10/20 0.37
AXL P30530 5/20 0.37
TYRO3 Q06418 5/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
MERTK Q12866 4/20 0.36
TYK2 P29597 2/20 0.36
EGFR P00533 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 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
SCHEMBL672233 0.75 JAK3 (0.47) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL1663034 0.73 JAK3 (0.39) JAK3JAK2JAK1BTKAXL
SCHEMBL1663011 0.72 TTK (0.45) JAK3JAK2BTKEGFR
SCHEMBL1663059 0.71 JAK3 (0.49) JAK3BTK
SCHEMBL673183 0.70 JAK3 (0.47) JAK3JAK2JAK1FGFR1FGFR2
SCHEMBL1662994 0.69 PLK4 (0.53) JAK3JAK2JAK1BTK
SCHEMBL1662982 0.68 JAK3 (0.42) JAK3JAK2JAK1BTKTYK2
SCHEMBL1662711 0.66 JAK3 (0.42) JAK3JAK2JAK1BTKTYK2
SCHEMBL1662557 0.65 JAK3 (0.41) JAK3JAK2JAK1BTKTYK2
SCHEMBL14663676 0.65 JAK2 (0.49) JAK3JAK2JAK1AXLTYRO3

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