SCHEMBL4980198

SCHEMBL4980198

CC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ncc(F)cn1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.64
JAK3 P52333 15/20 0.64
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4972207 0.86 JAK2 (0.64) JAK2JAK3
SCHEMBL14675794 0.86 JAK2 (0.64) JAK2JAK3
SCHEMBL4969755 0.83 JAK2 (0.50) JAK2JAK3SMN1; SMN2
SCHEMBL4972280 0.83 JAK2 (0.60) JAK2JAK3
SCHEMBL3671795 0.82 JAK2 (0.65) JAK2JAK3
SCHEMBL2338534 0.82 JAK2 (0.65) JAK2JAK3
SCHEMBL4972221 0.82 JAK2 (0.61) JAK2JAK3KDM4ESMN1; SMN2
SCHEMBL4969772 0.81 JAK2 (0.48) JAK2JAK3KDM4ESMN1; SMN2
SCHEMBL2160844 0.79 JAK2 (0.54) JAK2JAK3
SCHEMBL4421973 0.79 JAK2 (0.54) 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