SCHEMBL29480476

SCHEMBL29480476

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 9/20 0.35
▸ GCGR P47871 3/20 0.34
▸ JAK1 P23458 4/20 0.33
▸ JAK2 O60674 5/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 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
SCHEMBL29480539 0.93 GCG (0.34) GCGGCGRJAK1JAK2EGLN1
SCHEMBL29480546 0.92 GCG (0.34) GCGGCGRJAK1JAK2EGLN1
SCHEMBL29480528 0.89 RIPK2 (0.34) GCGJAK1JAK2
SCHEMBL29480456 0.85 GCG (0.33) GCGGCGRJAK1JAK2TYK2
SCHEMBL29480486 0.85 JAK2 (0.34) GCGGCGRJAK1JAK2TYK2
SCHEMBL29480608 0.85 GCG (0.36) GCGGCGRJAK1JAK2EGLN1
SCHEMBL29480611 0.84 JAK1 (0.34) GCGJAK1JAK2TYK2JAK3
SCHEMBL22736259 0.83 PDK2 (0.35) GCGGCGRJAK1JAK2EGLN1
SCHEMBL29567075 0.83 PDK2 (0.35) GCGGCGRJAK1JAK2EGLN1
SCHEMBL22736497 0.83 JAK2 (0.34) GCGGCGRJAK1JAK2EGLN1

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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