SCHEMBL4970845

SCHEMBL4970845

CC(Oc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.64
JAK3 P52333 11/20 0.64
SMN1; SMN2 Q16637 3/20 0.39
INPPL1 O15357 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALK Q9UM73 1/20 0.34
BCL6 P41182 1/20 0.34

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
SCHEMBL4974705 0.85 JAK2 (0.49) JAK2JAK3SMN1; SMN2KDM4ENPC1
SCHEMBL4975389 0.85 JAK2 (0.61) JAK2JAK3SMN1; SMN2INPPL1KDM4E
SCHEMBL4974714 0.83 JAK2 (0.47) JAK2JAK3SMN1; SMN2KDM4ENPC1
SCHEMBL4973163 0.82 JAK2 (0.63) JAK2JAK3SMN1; SMN2INPPL1KDM4E
SCHEMBL4972377 0.82 JAK2 (0.57) JAK2JAK3SMN1; SMN2KDM4EMAPT
SCHEMBL4972257 0.79 JAK2 (0.59) JAK2JAK3SMN1; SMN2KDM4EMAPT
SCHEMBL4982863 0.79 JAK3 (1.00) JAK2JAK3
SCHEMBL4972221 0.77 JAK2 (0.61) JAK2JAK3SMN1; SMN2KDM4EBCL6
SCHEMBL4970852 0.76 JAK2 (0.40) JAK2JAK3SMN1; SMN2KDM4ERAB9A
SCHEMBL4975407 0.76 JAK2 (0.46) JAK2JAK3SMN1; SMN2KDM4ENPC1

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-2008132502-A1 PYRAZOLYL-AMINO-SUBSTITUTED PYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-11-06 WO disclosed