SCHEMBL4982863

SCHEMBL4982863

Cc1cc(Nc2nc(OC(C)c3ncc(F)cc3F)c(F)c(N3CCOCC3)n2)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 1.00
JAK2 O60674 16/20 1.00
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
NTRK1 P04629 2/20 0.41
PLK4 O00444 1/20 0.41

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
SCHEMBL4981256 0.89 JAK2 (1.00) JAK3JAK2
SCHEMBL4983862 0.88 JAK3 (0.79) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL4985342 0.87 JAK2 (1.00) JAK3JAK2NTRK1
SCHEMBL4985697 0.87 JAK2 (1.00) JAK3JAK2NTRK1
SCHEMBL4980758 0.79 JAK2 (0.80) JAK3JAK2NTRK1
SCHEMBL4970845 0.79 JAK2 (0.64) JAK3JAK2
SCHEMBL13942616 0.78 JAK3 (0.75) JAK3JAK2AURKAAURKBNTRK1
SCHEMBL4983520 0.78 JAK3 (0.63) JAK3JAK2NTRK1PLK4
SCHEMBL4979167 0.77 JAK2 (0.63) JAK3JAK2NTRK1PLK4
SCHEMBL4978667 0.77 JAK3 (0.62) JAK3JAK2PLK4

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