SCHEMBL29480608

SCHEMBL29480608

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GCG P01275 4/20 0.36
▸ JAK1 P23458 4/20 0.34
▸ JAK2 O60674 4/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ KDM4A O75164 1/20 0.31
▸ KDM4B O94953 1/20 0.31
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31
▸ GRM4 Q14833 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ JAK3 P52333 1/20 0.30
▸ PDK2 Q15119 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
SCHEMBL29480539 0.90 GCG (0.34) GCGJAK1JAK2EGLN1GCGR
SCHEMBL29568014 0.85 GCG (0.35) GCGJAK1JAK2EGLN1GCGR
SCHEMBL29480476 0.85 GCG (0.35) GCGJAK1JAK2EGLN1GCGR
SCHEMBL22736481 0.85 GCG (0.35) GCGJAK1JAK2EGLN1GCGR
SCHEMBL29480587 0.85 GRM4 (0.35) GCGJAK1JAK2GCGRKDM4A
SCHEMBL29480546 0.84 GCG (0.34) GCGJAK1JAK2EGLN1GCGR
SCHEMBL22735739 0.82 GRM4 (0.34) GCGJAK2EGLN1GRM4
SCHEMBL29480558 0.82 GRM4 (0.34) GCGJAK2EGLN1GRM4
SCHEMBL29480615 0.82 GRM4 (0.32) GCGJAK1JAK2EGLN1GCGR
SCHEMBL29480518 0.82 GRM4 (0.32) GCGJAK1JAK2EGLN1GCGR

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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