SCHEMBL29480574

SCHEMBL29480574

NS(=O)(=O)C(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 3/20 0.35
▸ JAK2 O60674 2/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ GRM4 Q14833 2/20 0.31
▸ GCG P01275 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
SCHEMBL29480611 0.90 JAK1 (0.34) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480486 0.85 JAK2 (0.34) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29567880 0.84 JAK2 (0.32) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480456 0.83 GCG (0.33) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480510 0.83 JAK2 (0.32) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480483 0.83 JAK2 (0.36) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480507 0.82 GCG (0.32) JAK1JAK2TYK2JAK3GRM4
SCHEMBL29480476 0.82 GCG (0.35) JAK1JAK2TYK2JAK3GCG
SCHEMBL22735791 0.81 JAK2 (0.33) JAK1JAK2TYK2JAK3GRM4
SCHEMBL22736486 0.81 JAK2 (0.33) JAK1JAK2TYK2JAK3GRM4

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
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN claimed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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