SCHEMBL4982579

SCHEMBL4982579

COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)n[nH]1

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 0.80
JAK3 P52333 19/20 0.80

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
SCHEMBL218817 0.94 JAK2 (0.73) JAK2JAK3
SCHEMBL217138 0.88 JAK2 (0.82) JAK2JAK3
SCHEMBL220017 0.83 JAK3 (0.88) JAK2JAK3
SCHEMBL220721 0.81 JAK3 (0.79) JAK2JAK3
SCHEMBL5000771 0.81 JAK2 (0.53) JAK2JAK3
SCHEMBL4982949 0.78 JAK3 (1.00) JAK2JAK3
SCHEMBL251027 0.77 JAK2 (0.51) JAK2JAK3
SCHEMBL219030 0.76 JAK2 (0.47) JAK2JAK3
SCHEMBL4980198 0.75 JAK2 (0.64) JAK2JAK3
SCHEMBL4981256 0.75 JAK2 (1.00) JAK2JAK3

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