SCHEMBL4985697

SCHEMBL4985697

Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(F)c(N3CCOCC3)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 1.00
JAK3 P52333 16/20 1.00
NTRK1 P04629 2/20 0.51
ALK Q9UM73 1/20 0.45

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
SCHEMBL4985342 1.00 JAK2 (1.00) JAK2JAK3NTRK1ALK
SCHEMBL4981256 0.89 JAK2 (1.00) JAK2JAK3
SCHEMBL4980758 0.89 JAK2 (0.80) JAK2JAK3NTRK1
SCHEMBL4982863 0.87 JAK3 (1.00) JAK2JAK3NTRK1
SCHEMBL4982949 0.84 JAK3 (1.00) JAK2JAK3NTRK1
SCHEMBL3936781 0.84 JAK2 (0.73) JAK2JAK3NTRK1ALK
SCHEMBL4021826 0.84 JAK2 (0.73) JAK2JAK3NTRK1ALK
SCHEMBL4978412 0.80 JAK3 (1.00) JAK2JAK3NTRK1
SCHEMBL4983862 0.79 JAK3 (0.79) JAK2JAK3NTRK1
SCHEMBL4973163 0.78 JAK2 (0.63) JAK2JAK3NTRK1ALK

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