SCHEMBL1665417

SCHEMBL1665417

Cn1cc(Nc2nc(Cc3cccc(Cl)c3Cl)c3cn[nH]c3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 7/20 0.42
KDR P35968 3/20 0.42
JAK3 P52333 7/20 0.42
BTK Q06187 2/20 0.42
JAK1 P23458 6/20 0.41
JAK2 O60674 5/20 0.41
TYK2 P29597 3/20 0.41
CDK19 Q9BWU1 2/20 0.41
ALK Q9UM73 2/20 0.41
PLK4 O00444 1/20 0.37
PAK4 O96013 1/20 0.37
PTK2 Q05397 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
SCHEMBL1662830 0.90 JAK3 (0.41) FLT4KDRJAK3BTKJAK1
SCHEMBL1663028 0.82 JAK3 (0.47) JAK3BTKJAK1JAK2TYK2
SCHEMBL1662557 0.82 JAK3 (0.41) FLT4KDRJAK3BTKJAK1
SCHEMBL1662898 0.79 JAK3 (0.39) FLT4KDRJAK3BTKJAK1
SCHEMBL1662982 0.78 JAK3 (0.42) JAK3BTKJAK1JAK2TYK2
SCHEMBL1662711 0.78 JAK3 (0.42) JAK3BTKJAK1JAK2TYK2
SCHEMBL1665152 0.76 JAK3 (0.46) JAK3BTKJAK1JAK2TYK2
SCHEMBL1662793 0.74 PLK4 (0.46) JAK3BTKJAK1JAK2TYK2
SCHEMBL14811478 0.72 JAK3 (0.44) JAK3BTKJAK1JAK2
SCHEMBL1665415 0.68 CDK19 (0.50) FLT4KDRJAK3JAK1JAK2

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