SCHEMBL1665152

SCHEMBL1665152

COc1cccc(F)c1Cc1nc(Nc2cnn(C)c2)nc2[nH]ncc12

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.46
JAK2 O60674 14/20 0.46
JAK1 P23458 11/20 0.46
TYK2 P29597 5/20 0.46
BTK Q06187 1/20 0.41
CDK19 Q9BWU1 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL1663028 0.88 JAK3 (0.47) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662982 0.81 JAK3 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662830 0.78 JAK3 (0.41) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662557 0.77 JAK3 (0.41) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662898 0.76 JAK3 (0.39) JAK3JAK2JAK1TYK2BTK
SCHEMBL1662711 0.76 JAK3 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL1665417 0.76 FLT4 (0.42) JAK3JAK2JAK1TYK2BTK
SCHEMBL15548119 0.72 JAK3 (0.42) JAK3JAK2JAK1TYK2CDK19
SCHEMBL16782439 0.72 JAK3 (0.48) JAK3JAK2JAK1TYK2CDK19
SCHEMBL1662793 0.71 PLK4 (0.46) JAK3JAK2JAK1TYK2BTK

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