SCHEMBL29480486

SCHEMBL29480486

OC(CCC(F)(F)F)c1ccc(-n2cc(-c3ccnc4[nH]cnc34)cn2)nc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.34
▸ JAK1 P23458 3/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ GRM4 Q14833 2/20 0.33
▸ GCG P01275 3/20 0.32
▸ GCGR P47871 1/20 0.31

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
SCHEMBL29480456 0.87 GCG (0.33) JAK2JAK1TYK2JAK3GRM4
SCHEMBL29480552 0.87 GRM4 (0.35) JAK2JAK1GRM4GCG
SCHEMBL22736484 0.87 GRM4 (0.35) JAK2JAK1GRM4GCG
SCHEMBL29480483 0.86 JAK2 (0.36) JAK2JAK1TYK2JAK3GRM4
SCHEMBL29480507 0.86 GCG (0.32) JAK2JAK1TYK2JAK3GRM4
SCHEMBL29480518 0.85 GRM4 (0.32) JAK2JAK1GRM4GCGGCGR
SCHEMBL29480476 0.85 GCG (0.35) JAK2JAK1TYK2JAK3GCG
SCHEMBL29480574 0.85 JAK1 (0.35) JAK2JAK1TYK2JAK3GRM4
SCHEMBL29480510 0.85 JAK2 (0.32) JAK2JAK1TYK2JAK3GRM4
SCHEMBL22716928 0.84 GRM4 (0.33) JAK2JAK1GRM4GCGGCGR

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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