SCHEMBL4028491

SCHEMBL4028491

COC[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)nc(N2CCOCC2)n1)c1ncc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.48
JAK3 P52333 4/20 0.48
IGF1R P08069 9/20 0.47
PLK4 O00444 1/20 0.42
NTRK1 P04629 3/20 0.42

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
SCHEMBL13942351 0.89 JAK3 (0.60) JAK2JAK3PLK4NTRK1
SCHEMBL13942371 0.89 JAK3 (0.60) JAK2JAK3PLK4NTRK1
SCHEMBL3946015 0.86 JAK3 (0.57) JAK2JAK3PLK4NTRK1
SCHEMBL2162086 0.83 JAK2 (0.43) JAK2JAK3
SCHEMBL13943168 0.82 JAK3 (0.60) JAK2JAK3PLK4NTRK1
SCHEMBL13942856 0.81 JAK3 (0.48) JAK2JAK3PLK4
SCHEMBL3946105 0.80 JAK3 (0.46) JAK2JAK3IGF1RPLK4NTRK1
SCHEMBL3946100 0.80 JAK3 (0.46) JAK2JAK3IGF1RPLK4NTRK1
SCHEMBL13943434 0.79 JAK3 (0.49) JAK2JAK3PLK4NTRK1
SCHEMBL13943188 0.79 JAK3 (0.49) JAK2JAK3PLK4NTRK1

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 WO disclosed