SCHEMBL29480709

SCHEMBL29480709

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

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.35
▸ GRM4 Q14833 1/20 0.30
▸ EGLN1 Q9GZT9 1/20 0.30
▸ JAK1 P23458 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
SCHEMBL29480672 0.85 JAK2 (0.34) JAK2
SCHEMBL22735741 0.82 EGLN1 (0.39) JAK2GRM4EGLN1
SCHEMBL29480703 0.82 EGLN1 (0.39) JAK2GRM4EGLN1
SCHEMBL29480552 0.81 GRM4 (0.35) JAK2GRM4EGLN1JAK1
SCHEMBL22736484 0.81 GRM4 (0.35) JAK2GRM4EGLN1JAK1
SCHEMBL29480524 0.81 JAK2 (0.33) JAK2GRM4JAK1
SCHEMBL29480562 0.81 JAK2 (0.34) JAK2GRM4JAK1
SCHEMBL22736482 0.81 JAK2 (0.40) JAK2GRM4EGLN1JAK1
SCHEMBL22716880 0.81 JAK2 (0.40) JAK2JAK1
SCHEMBL29480583 0.81 JAK2 (0.40) JAK2JAK1

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-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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