SCHEMBL18409117

SCHEMBL18409117

Cn1cnc2c(NC(=O)C3CC3)nc(Nc3c(F)cc(C#N)cc3CC(F)F)cc21

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 6/20 0.55
▸ JAK2 O60674 4/20 0.55
▸ JAK1 P23458 4/20 0.55
▸ JAK3 P52333 4/20 0.55
▸ IRAK4 Q9NWZ3 5/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ GNRHR P30968 1/20 0.32
▸ ABL1 P00519 3/20 0.32
▸ CDK9 P50750 2/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCND1 P24385 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
SCHEMBL18409285 0.92 TYK2 (0.62) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL18409176 0.87 TYK2 (0.48) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409322 0.86 TYK2 (0.53) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL18409528 0.84 TYK2 (0.65) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409108 0.81 JAK1 (0.47) TYK2JAK2JAK1JAK3GSK3B
SCHEMBL18409286 0.81 JAK2 (0.47) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18398203 0.81 GPR6 (0.37) TYK2JAK2JAK1JAK3IRAK4
SCHEMBL18398581 0.79 JAK2 (0.53) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL18409202 0.78 TYK2 (0.53) TYK2JAK2JAK1JAK3EGLN2
SCHEMBL16909321 0.78 TYK2 (0.60) TYK2JAK2JAK1JAK3IRAK4

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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