SCHEMBL19635803

SCHEMBL19635803

N#CN1CCC[C@@H](n2nc(-c3ccc(NC4CCCCC4)nc3)c3c(N)ncnc32)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.64
JAK3 P52333 4/20 0.64
ITK Q08881 6/20 0.58
EGFR P00533 8/20 0.49
JAK1 P23458 2/20 0.49
PIK3CD O00329 3/20 0.49
PIK3CA P42336 3/20 0.49
PIK3CB P42338 3/20 0.49
PIK3CG P48736 3/20 0.49
PRKDC P78527 3/20 0.49
ABL1 P00519 2/20 0.49
HCK P08631 2/20 0.49
SRC P12931 2/20 0.49
KDR P35968 2/20 0.49
MTOR P42345 2/20 0.49
EPHB4 P54760 2/20 0.49
PI4KB Q9UBF8 1/20 0.49
BTK Q06187 1/20 0.48
TYK2 P29597 1/20 0.48

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
SCHEMBL19635794 0.78 JAK3 (0.61) JAK2JAK3ITKJAK1BTK
SCHEMBL17479775 0.78 BTK (0.74) JAK3ITKEGFRABL1HCK
SCHEMBL28399202 0.77 JAK2 (0.65) JAK2JAK3ITKEGFRJAK1
SCHEMBL28399199 0.77 JAK2 (0.65) JAK2JAK3ITKEGFRJAK1
SCHEMBL19635797 0.77 JAK2 (0.64) JAK2JAK3ITKEGFRSRC
SCHEMBL19636023 0.77 JAK2 (0.64) JAK2JAK3ITKEGFRSRC
SCHEMBL19635812 0.75 JAK3 (0.60) JAK2JAK3ITKEGFRBTK
SCHEMBL19635795 0.75 JAK3 (0.61) JAK2JAK3ITKEGFRJAK1
SCHEMBL19635789 0.75 BTK (0.68) JAK2JAK3ITKEGFRSRC
SCHEMBL19636020 0.75 BTK (0.68) JAK2JAK3ITKEGFRSRC

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