SCHEMBL4696211

SCHEMBL4696211

C[C@H](Nc1nc2c(cc1Cl)ncn2-c1cc(C2CC2)[nH]n1)c1ccc(F)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 18/20 0.61
▸ NUAK1 O60285 1/20 0.52
▸ JAK2 O60674 2/20 0.47
▸ JAK3 P52333 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
SCHEMBL4697302 0.87 NTRK1 (0.55) NTRK1NUAK1
SCHEMBL56800 0.85 NTRK1 (0.79) NTRK1JAK2JAK3
SCHEMBL4750903 0.85 NTRK1 (0.79) NTRK1JAK2JAK3
SCHEMBL4696858 0.84 NTRK1 (0.81) NTRK1JAK2
SCHEMBL4696821 0.84 NTRK1 (0.81) NTRK1JAK2
SCHEMBL27689887 0.84 NTRK1 (0.81) NTRK1JAK2
SCHEMBL3702483 0.83 NTRK1 (0.58) NTRK1JAK2JAK3
SCHEMBL4695215 0.83 NUAK1 (0.61) NTRK1NUAK1
SCHEMBL56396 0.78 NTRK1 (0.53) NTRK1JAK2JAK3
SCHEMBL57014 0.78 NTRK1 (0.55) NTRK1JAK2JAK3

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
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