SCHEMBL29480562

SCHEMBL29480562

N#CC(CC(O)C(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.34
▸ GRM4 Q14833 1/20 0.31
▸ JAK1 P23458 1/20 0.30
▸ TYK2 P29597 1/20 0.30
▸ JAK3 P52333 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
SCHEMBL29480524 0.89 JAK2 (0.33) JAK2GRM4JAK1TYK2JAK3
SCHEMBL29480483 0.87 JAK2 (0.36) JAK2GRM4JAK1TYK2JAK3
SCHEMBL22736484 0.84 GRM4 (0.35) JAK2GRM4JAK1
SCHEMBL29480552 0.84 GRM4 (0.35) JAK2GRM4JAK1
SCHEMBL29568493 0.83 JAK2 (0.35) JAK2GRM4JAK1TYK2JAK3
SCHEMBL22735734 0.83 JAK2 (0.35) JAK2GRM4JAK1TYK2JAK3
SCHEMBL22736286 0.82 GRM4 (0.34) JAK2GRM4JAK1
SCHEMBL29567090 0.82 GRM4 (0.34) JAK2GRM4JAK1
SCHEMBL22736248 0.81 JAK2 (0.36) JAK2GRM4JAK1TYK2JAK3
SCHEMBL29567181 0.81 JAK2 (0.36) JAK2GRM4JAK1TYK2JAK3

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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