SCHEMBL29096451

SCHEMBL29096451

Cc1nn(-c2cc(Br)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)ncc12

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 18/20 0.42
▸ JAK1 P23458 17/20 0.42
▸ TYK2 P29597 7/20 0.42
▸ JAK3 P52333 7/20 0.42
▸ LRRK2 Q5S007 2/20 0.37
▸ IRAK4 Q9NWZ3 2/20 0.37

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
SCHEMBL29958824 1.00 JAK2 (0.42) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31144194 0.92 JAK2 (0.38) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028643 0.92 JAK2 (0.43) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028659 0.90 IRAK4 (0.46) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL29958828 0.90 IRAK4 (0.46) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028649 0.89 JAK2 (0.38) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028581 0.88 JAK2 (0.44) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL31144211 0.87 JAK2 (0.40) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028612 0.87 JAK2 (0.39) JAK2JAK1TYK2JAK3LRRK2
SCHEMBL27028734 0.86 JAK2 (0.35) JAK2JAK1TYK2JAK3LRRK2

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
CN-116981459-A Heterocyclic derivatives as janus kinase inhibitors 奇斯药制品公司 2023-10-31 — — CN claimed
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