SCHEMBL19527712

SCHEMBL19527712

CC1(C)C[C@H](Nc2nc(Nc3ccc(OC4CCN(C5COC5)C[C@H]4F)c(C(F)(F)F)c3)ncc2F)CC2CCCN21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.41
▸ TBK1 Q9UHD2 9/20 0.41
▸ JAK2 O60674 2/20 0.39
▸ ULK1 O75385 3/20 0.39
▸ ULK2 Q8IYT8 1/20 0.39
▸ EGFR P00533 4/20 0.38
▸ BMX P51813 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ BCL6 P41182 1/20 0.36

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
SCHEMBL18061447 1.00 LRRK2 (0.41) LRRK2TBK1JAK2ULK1ULK2
SCHEMBL15337276 1.00 LRRK2 (0.41) LRRK2TBK1JAK2ULK1ULK2
SCHEMBL15337706 1.00 LRRK2 (0.41) LRRK2TBK1JAK2ULK1ULK2
SCHEMBL15337510 0.90 ULK1 (0.41) LRRK2ULK1ULK2EGFRBMX
SCHEMBL15337703 0.90 ULK1 (0.41) LRRK2ULK1ULK2EGFRBMX
SCHEMBL15337482 0.87 ULK1 (0.40) TBK1ULK1ULK2EGFRBCL6
SCHEMBL19527806 0.87 ULK1 (0.40) TBK1ULK1ULK2EGFRBCL6
SCHEMBL15337710 0.87 ULK1 (0.40) TBK1ULK1ULK2EGFRBCL6
SCHEMBL15337651 0.87 ULK1 (0.40) TBK1ULK1ULK2EGFRBCL6
SCHEMBL15337495 0.83 ULK1 (0.42) ULK1ULK2EGFRBCL6

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-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 — — EP disclosed
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