SCHEMBL19527665

SCHEMBL19527665

CC(=O)OC1C[C@H](OC(C)=O)COC1Oc1ccc(Nc2ncc(F)c(N)n2)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 16/20 0.38
▸ JAK2 O60674 4/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ IKBKE Q14164 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ITK Q08881 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
SCHEMBL18995121 0.78 NPC1 (0.47) TBK1JAK2NPC1RAB9AGRM5
SCHEMBL19527732 0.71 NPC1 (0.49) NPC1RAB9AGRM5EGFR
SCHEMBL15320461 0.71 EGFR (0.39) TBK1JAK2EGFRITK
SCHEMBL19512377 0.71 EGFR (0.39) TBK1JAK2EGFRITK
SCHEMBL19527678 0.70 NPC1 (0.47) NPC1RAB9AGRM5EGFR
SCHEMBL19527814 0.69 EGFR (0.51) NPC1RAB9AEGFRITK
SCHEMBL19527785 0.69 NPC1 (0.47) NPC1RAB9AGRM5EGFRITK
SCHEMBL17708218 0.69 EGFR (0.37) TBK1JAK2EGFRITK
SCHEMBL19527651 0.68 NPC1 (0.47) TBK1NPC1RAB9AGRM5EGFR
SCHEMBL19527760 0.67 EGFR (0.49) NPC1RAB9AEGFRITK

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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