SCHEMBL18398283

SCHEMBL18398283

CCc1cc(C#N)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(C)=O)n1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.63
▸ JAK1 P23458 5/20 0.63
▸ TYK2 P29597 5/20 0.63
▸ JAK3 P52333 5/20 0.63
▸ EGLN2 Q96KS0 1/20 0.32
▸ IKBKB O14920 1/20 0.31
▸ CHUK O15111 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CTSS P25774 2/20 0.31
▸ CTSK P43235 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
SCHEMBL18398443 0.91 JAK2 (0.61) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398389 0.91 JAK2 (0.61) JAK2JAK1TYK2JAK3CTSS
SCHEMBL18398237 0.91 JAK2 (0.60) JAK2JAK1TYK2JAK3
SCHEMBL18409359 0.90 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL18398346 0.89 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL18409163 0.89 TYK2 (0.75) JAK2JAK1TYK2JAK3EGLN2
SCHEMBL18409279 0.88 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL18398558 0.88 JAK2 (0.58) JAK2JAK1TYK2JAK3EGLN2
SCHEMBL18409127 0.88 JAK2 (0.60) JAK2JAK1TYK2JAK3EGLN2
SCHEMBL18398513 0.88 TYK2 (0.62) JAK2JAK1TYK2JAK3

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 2 patents. 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
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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