SCHEMBL18409147

SCHEMBL18409147

CCc1cc(C#N)ccc1Oc1cc2c(ncn2C)c(N)n1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.39
▸ JAK1 P23458 4/20 0.39
▸ TYK2 P29597 4/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ CTSS P25774 10/20 0.39
▸ CTSK P43235 9/20 0.39
▸ NSD2 O96028 2/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ NSD3 Q9BZ95 1/20 0.33

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
SCHEMBL18398366 0.84 LMNA (0.36) JAK2JAK1TYK2JAK3CTSS
SCHEMBL16923308 0.82 CTSS (0.37) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398276 0.78 NSD2 (0.34) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18409197 0.77 TYK2 (0.43) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398319 0.76 JAK2 (0.46) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398318 0.76 JAK2 (0.38) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18409427 0.73 JAK2 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL16909254 0.70 L3MBTL1 (0.42) CTSSCTSKNSD2
SCHEMBL18398229 0.69 JAK2 (0.51) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398397 0.69 JAK2 (0.49) JAK2JAK1TYK2JAK3CTSS

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
WO-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 — — WO disclosed
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