SCHEMBL1663028

SCHEMBL1663028

COc1cccc(Cc2nc(Nc3cnn(C)c3)nc3[nH]ncc23)c1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.47
JAK1 P23458 6/20 0.47
TYK2 P29597 6/20 0.47
JAK2 O60674 4/20 0.47
CDK19 Q9BWU1 1/20 0.41
ALK Q9UM73 1/20 0.41
BTK Q06187 2/20 0.40
HTR2C P28335 4/20 0.39
HTR2A P28223 4/20 0.39
TTK P33981 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR3 P22607 1/20 0.36
EGFR P00533 1/20 0.36
IGF1R P08069 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
SCHEMBL1665152 0.88 JAK3 (0.46) JAK3JAK1TYK2JAK2CDK19
SCHEMBL1662830 0.88 JAK3 (0.41) JAK3JAK1TYK2JAK2CDK19
SCHEMBL1662982 0.84 JAK3 (0.42) JAK3JAK1TYK2JAK2ALK
SCHEMBL1665417 0.82 FLT4 (0.42) JAK3JAK1TYK2JAK2CDK19
SCHEMBL1662898 0.82 JAK3 (0.39) JAK3JAK1TYK2JAK2CDK19
SCHEMBL1662557 0.79 JAK3 (0.41) JAK3JAK1TYK2JAK2CDK19
SCHEMBL1662711 0.76 JAK3 (0.42) JAK3JAK1TYK2JAK2BTK
SCHEMBL16782663 0.72 JAK3 (0.47) JAK3JAK1TYK2JAK2
SCHEMBL1662793 0.72 PLK4 (0.46) JAK3JAK1TYK2JAK2BTK
SCHEMBL1663025 0.71 JAK3 (0.58) JAK3JAK1TYK2JAK2CDK19

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