SCHEMBL18409285

SCHEMBL18409285

CCc1cc(C#N)cc(F)c1Nc1cc2c(ncn2C)c(NC(=O)C2CC2)n1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.62
▸ JAK2 O60674 4/20 0.62
▸ JAK1 P23458 4/20 0.62
▸ JAK3 P52333 4/20 0.62
▸ EGLN2 Q96KS0 1/20 0.35
▸ IRAK4 Q9NWZ3 5/20 0.35
▸ ABL1 P00519 3/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ TBK1 Q9UHD2 1/20 0.33
▸ BRAF P15056 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ WNT1 P04628 1/20 0.32

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
SCHEMBL18409117 0.92 TYK2 (0.55) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409322 0.89 TYK2 (0.53) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409286 0.89 JAK2 (0.47) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409108 0.89 JAK1 (0.47) TYK2JAK2JAK1JAK3ABL1
SCHEMBL16909321 0.86 TYK2 (0.60) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18398581 0.85 JAK2 (0.53) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409202 0.84 TYK2 (0.53) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409170 0.83 TYK2 (0.61) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409163 0.83 TYK2 (0.75) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18398396 0.81 JAK1 (0.44) TYK2JAK2JAK1JAK3

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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