SCHEMBL4695262

SCHEMBL4695262

CC(C)Oc1cc(Nc2nc(N[C@@H](C)c3ccc(F)cc3)c(Cl)cc2N)n[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 9/20 0.58
JAK2 O60674 4/20 0.47
JAK3 P52333 4/20 0.47
LIMK1 P53667 1/20 0.47
LIMK2 P53671 1/20 0.47
GRK6 P43250 6/20 0.43
AURKA O14965 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
SCHEMBL4696082 0.85 NTRK1 (0.49) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4748708 0.84 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4696177 0.83 NTRK1 (0.59) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL3137771 0.83 NTRK1 (0.54) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL4696037 0.82 NTRK1 (0.85) NTRK1JAK2JAK3
SCHEMBL23808896 0.81 NTRK1 (0.75) NTRK1JAK2JAK3GRK6AURKA
SCHEMBL2565727 0.80 JAK2 (0.53) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2565732 0.80 JAK2 (0.53) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2486709 0.79 JAK3 (0.75) NTRK1JAK2JAK3LIMK1LIMK2
SCHEMBL2486710 0.79 JAK3 (0.75) NTRK1JAK2JAK3LIMK1LIMK2

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
EP-1853588-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2008-06-18 EP disclosed