SCHEMBL18409279

SCHEMBL18409279

CCc1cc(C#N)cc(F)c1N(C)c1cc2c(ncn2C)c(NC(=O)C2(F)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.58
▸ JAK1 P23458 5/20 0.58
▸ TYK2 P29597 5/20 0.58
▸ JAK3 P52333 5/20 0.58
▸ GSK3B P49841 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ P2RX7 Q99572 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
SCHEMBL18409127 0.92 JAK2 (0.60) JAK2JAK1TYK2JAK3
SCHEMBL18398558 0.92 JAK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL18398283 0.88 JAK2 (0.63) JAK2JAK1TYK2JAK3
SCHEMBL18398606 0.87 TYK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL18398443 0.87 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL18398389 0.87 JAK2 (0.61) JAK2JAK1TYK2JAK3
SCHEMBL18398432 0.87 TYK2 (0.65) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL18409163 0.86 TYK2 (0.75) JAK2JAK1TYK2JAK3GSK3B
SCHEMBL18398237 0.86 JAK2 (0.60) JAK2JAK1TYK2JAK3
SCHEMBL18409401 0.86 TYK2 (0.61) 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 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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