SCHEMBL18409441

SCHEMBL18409441

CCc1cc(C#N)nc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)[C@H]2C[C@H]2F)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 6/20 0.48
▸ JAK1 P23458 6/20 0.48
▸ TYK2 P29597 6/20 0.48
▸ JAK3 P52333 6/20 0.48
▸ MAP4K1 Q92918 3/20 0.33
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL18408929 0.91 JAK2 (0.41) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409547 0.88 TYK2 (0.62) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409119 0.88 TYK2 (0.62) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18398513 0.88 TYK2 (0.62) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409549 0.88 TYK2 (0.62) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409457 0.87 JAK2 (0.41) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409160 0.87 JAK2 (0.51) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18408894 0.87 JAK2 (0.40) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18409443 0.86 JAK2 (0.42) JAK2JAK1TYK2JAK3MAP4K1
SCHEMBL18398194 0.85 JAK2 (0.45) JAK2JAK1TYK2JAK3MAP4K1

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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