SCHEMBL19635794

SCHEMBL19635794

N#CN1CCC[C@@H](n2nc(-c3ccc(OC4CCOCC4)nc3)c3c(N)ncnc32)C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.61
JAK2 O60674 3/20 0.61
ITK Q08881 2/20 0.52
BTK Q06187 16/20 0.50
BLK P51451 2/20 0.49
FGR P09769 1/20 0.49
FLT3 P36888 1/20 0.49
CSK P41240 1/20 0.49
JAK1 P23458 1/20 0.47

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
SCHEMBL19635795 0.80 JAK3 (0.61) JAK3JAK2ITKBTKJAK1
SCHEMBL19635789 0.79 BTK (0.68) JAK3JAK2ITKBTKBLK
SCHEMBL19636020 0.79 BTK (0.68) JAK3JAK2ITKBTKBLK
SCHEMBL19635812 0.78 JAK3 (0.60) JAK3JAK2ITKBTK
SCHEMBL19635803 0.78 JAK2 (0.64) JAK3JAK2ITKBTKJAK1
SCHEMBL17479775 0.77 BTK (0.74) JAK3ITKBTKBLKFGR
SCHEMBL19636023 0.77 JAK2 (0.64) JAK3JAK2ITKBTK
SCHEMBL19635797 0.77 JAK2 (0.64) JAK3JAK2ITKBTK
SCHEMBL19635793 0.74 BTK (0.61) JAK3JAK2ITKBTKBLK
SCHEMBL19635799 0.74 BTK (0.61) JAK3JAK2ITKBTKBLK

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-2017198049-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS BTK INHIBITOR AND PREPARATION METHOD AND PHARMACEUTICAL COMPOSITION THEREOF 浙江予川医药科技有限公司 2017-11-23 WO disclosed