SCHEMBL4980758

SCHEMBL4980758

COCC(Oc1nc(Nc2cc(C)[nH]n2)nc(N2CCOCC2)c1F)c1ccc(F)cn1

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.80
JAK3 P52333 17/20 0.80
NTRK1 P04629 1/20 0.47

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 0.89 JAK2 (1.00) JAK2JAK3NTRK1
SCHEMBL4985697 0.89 JAK2 (1.00) JAK2JAK3NTRK1
SCHEMBL4983862 0.89 JAK3 (0.79) JAK2JAK3NTRK1
SCHEMBL4022675 0.85 JAK3 (0.60) JAK2JAK3NTRK1
SCHEMBL4022668 0.85 JAK3 (0.60) JAK2JAK3NTRK1
SCHEMBL4978150 0.82 JAK3 (0.63) JAK2JAK3NTRK1
SCHEMBL4981256 0.81 JAK2 (1.00) JAK2JAK3
SCHEMBL13942386 0.80 JAK3 (0.60) JAK2JAK3NTRK1
SCHEMBL4982949 0.80 JAK3 (1.00) JAK2JAK3NTRK1
SCHEMBL4982863 0.79 JAK3 (1.00) JAK2JAK3NTRK1

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