SCHEMBL27028699

SCHEMBL27028699

Cc1nn(-c2cc(Cl)ccc2SC(F)F)c2cc(-c3cnn4cccnc34)ncc12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 13/20 0.42
▸ JAK1 P23458 11/20 0.42
▸ TYK2 P29597 7/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ IRAK4 Q9NWZ3 6/20 0.37
▸ LRRK2 Q5S007 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ BMP4 P12644 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
SCHEMBL29958618 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL27028676 0.90 IRAK4 (0.45) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL29958611 0.90 IRAK4 (0.45) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL29958828 0.85 IRAK4 (0.46) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL27028659 0.85 IRAK4 (0.46) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL27028805 0.84 JAK2 (0.42) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL29958736 0.83 IRAK4 (0.44) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL27028770 0.83 JAK2 (0.44) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL27028607 0.83 IRAK4 (0.44) JAK2JAK1TYK2JAK3IRAK4
SCHEMBL29958601 0.81 IRAK4 (0.44) JAK2JAK1TYK2JAK3IRAK4

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
EP-4308122-A1 HETEROCYCLIC DERIVATIVES AS JANUS KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2024-01-24 — — EP claimed
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