SCHEMBL18409202

SCHEMBL18409202

CCc1cc(C#N)c(F)cc1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.53
▸ JAK1 P23458 5/20 0.53
▸ JAK2 O60674 4/20 0.53
▸ JAK3 P52333 4/20 0.53
▸ ABL1 P00519 3/20 0.37
▸ TBK1 Q9UHD2 8/20 0.36
▸ EGLN2 Q96KS0 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL18409287 0.85 JAK2 (0.47) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18398581 0.85 JAK2 (0.53) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18409203 0.85 JAK2 (0.39) TYK2JAK1JAK2JAK3CASP1
SCHEMBL18398230 0.84 TYK2 (0.56) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18409114 0.84 TYK2 (0.46) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18409285 0.84 TYK2 (0.62) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18409103 0.82 JAK2 (0.43) TYK2JAK1JAK2JAK3
SCHEMBL18409108 0.81 JAK1 (0.47) TYK2JAK1JAK2JAK3ABL1
SCHEMBL18398306 0.80 CFTR (0.39) TYK2JAK1JAK2JAK3ALDH1A1
SCHEMBL18409176 0.79 TYK2 (0.48) TYK2JAK1JAK2JAK3ABL1

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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