SCHEMBL12796992

SCHEMBL12796992

Cn1cc(Nc2ncc3cnn(Cc4ccccc4N)c3n2)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.47
JAK1 P23458 7/20 0.47
TYK2 P29597 4/20 0.46
JAK2 O60674 6/20 0.46
ALK Q9UM73 5/20 0.46
CDK19 Q9BWU1 4/20 0.46
FLT4 P35916 6/20 0.44
KDR P35968 3/20 0.44
CDC7 O00311 2/20 0.43
DAPK3 O43293 2/20 0.43
ROCK2 O75116 2/20 0.43
PRKD3 O94806 2/20 0.43
MAP4K4 O95819 2/20 0.43
PAK4 O96013 2/20 0.43
PIM1 P11309 2/20 0.43
PRKACA P17612 2/20 0.43
CDK2 P24941 2/20 0.43
SYK P43405 2/20 0.43
CSNK1A1 P48729 2/20 0.43
CLK2 P49760 2/20 0.43

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
SCHEMBL12797123 0.90 JAK3 (0.46) JAK3JAK1TYK2JAK2ALK
SCHEMBL12797104 0.88 JAK3 (0.48) JAK3JAK1TYK2JAK2ALK
SCHEMBL12796169 0.88 EIF2AK4 (0.52) JAK3JAK1TYK2JAK2
SCHEMBL12795327 0.87 JAK3 (0.47) JAK3JAK1TYK2JAK2ALK
SCHEMBL12795222 0.87 CDK19 (0.54) JAK3JAK1TYK2JAK2ALK
SCHEMBL12797285 0.87 JAK1 (0.50) JAK3JAK1TYK2JAK2ALK
SCHEMBL12797296 0.87 JAK3 (0.47) JAK3JAK1TYK2JAK2
SCHEMBL12797020 0.87 JAK3 (0.52) JAK3JAK1TYK2JAK2FLT4
SCHEMBL12797282 0.86 JAK3 (0.52) JAK3JAK1TYK2JAK2ALK
SCHEMBL12795982 0.86 JAK3 (0.59) JAK3JAK1TYK2JAK2FLT4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048082-A1 HETEROCYCLYL PYRAZOLOPYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2011-04-28 WO disclosed