SCHEMBL18409169

SCHEMBL18409169

CCc1cc(C#N)cc(F)c1Oc1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2)C(=O)C2CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.43
▸ JAK1 P23458 4/20 0.43
▸ TYK2 P29597 4/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ NR1H4 Q96RI1 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ITK Q08881 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTR2A P28223 5/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ PTGDR2 Q9Y5Y4 2/20 0.31

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
SCHEMBL18409328 0.88 NR1H4 (0.38) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18398185 0.87 JAK2 (0.36) JAK2JAK1TYK2JAK3SMN1; SMN2
SCHEMBL18409548 0.79 JAK2 (0.48) JAK2JAK1TYK2JAK3ITK
SCHEMBL18409121 0.79 JAK2 (0.48) JAK2JAK1TYK2JAK3ITK
SCHEMBL18409107 0.78 JAK2 (0.53) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18398537 0.78 CTSL (0.44) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL18409171 0.78 SMN1; SMN2 (0.43) NR1H4SMN1; SMN2NPSR1KDM4EHTT
SCHEMBL18409120 0.78 JAK2 (0.38) JAK2JAK1TYK2JAK3ITK
SCHEMBL18409164 0.77 JAK2 (0.42) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18398536 0.77 JAK2 (0.42) JAK2JAK1TYK2JAK3SMN1; SMN2

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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