SCHEMBL29480539

SCHEMBL29480539

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

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 8/20 0.34
▸ JAK1 P23458 4/20 0.34
▸ GCGR P47871 1/20 0.33
▸ JAK2 O60674 4/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ GRM4 Q14833 1/20 0.31
▸ PDK2 Q15119 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
SCHEMBL29480476 0.93 GCG (0.35) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29480608 0.90 GCG (0.36) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29480546 0.85 GCG (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29480587 0.85 GRM4 (0.35) GCGJAK1GCGRJAK2GRM4
SCHEMBL22736480 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL22736497 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29567482 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL22736494 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29480642 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1
SCHEMBL29480601 0.84 JAK2 (0.34) GCGJAK1GCGRJAK2EGLN1

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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