SCHEMBL19527678

SCHEMBL19527678

CC(O)COc1ccc(Nc2ncc(F)c(N)n2)cc1C#N

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ EGFR P00533 3/20 0.42
▸ GRM5 P41594 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SYK P43405 5/20 0.38
▸ AAK1 Q2M2I8 1/20 0.38
▸ XDH P47989 1/20 0.37

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
SCHEMBL19527785 0.89 NPC1 (0.47) NPC1RAB9AEGFRGRM5MAPT
SCHEMBL20752084 0.87 EGFR (0.47) EGFRSYK
SCHEMBL19527814 0.84 EGFR (0.51) NPC1RAB9AEGFRMAPTSYK
SCHEMBL19527732 0.84 NPC1 (0.49) NPC1RAB9AEGFRGRM5MAPT
SCHEMBL20752248 0.82 LRRK2 (0.49) SYK
SCHEMBL19527760 0.81 EGFR (0.49) NPC1RAB9AEGFRMAPTSYK
SCHEMBL19527628 0.81 NPC1 (0.47) NPC1RAB9AEGFRGRM5MAPT
SCHEMBL19527816 0.78 KDM4E (0.39) XDH
SCHEMBL19527651 0.78 NPC1 (0.47) NPC1RAB9AEGFRGRM5MAPT
SCHEMBL18995121 0.77 NPC1 (0.47) NPC1RAB9AGRM5MAPT

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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