SCHEMBL22736197

SCHEMBL22736197

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 6/20 0.40
▸ JAK2 O60674 5/20 0.38
▸ JAK3 P52333 1/20 0.36
▸ GCG P01275 5/20 0.32
▸ GRM4 Q14833 2/20 0.32
▸ GCGR P47871 1/20 0.32
▸ EGLN1 Q9GZT9 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
SCHEMBL29480553 1.00 JAK1 (0.40) JAK1JAK2JAK3GCGGRM4
SCHEMBL29480578 0.89 JAK2 (0.40) JAK1JAK2JAK3GCGGRM4
SCHEMBL22736482 0.89 JAK2 (0.40) JAK1JAK2JAK3GCGGRM4
SCHEMBL22736198 0.88 JAK1 (0.40) JAK1JAK2JAK3GCG
SCHEMBL29480595 0.88 JAK1 (0.40) JAK1JAK2JAK3GCG
SCHEMBL29480486 0.83 JAK2 (0.34) JAK1JAK2JAK3GCGGRM4
SCHEMBL29480539 0.83 GCG (0.34) JAK1JAK2JAK3GCGGRM4
SCHEMBL29480552 0.83 GRM4 (0.35) JAK1JAK2GCGGRM4EGLN1
SCHEMBL22736484 0.83 GRM4 (0.35) JAK1JAK2GCGGRM4EGLN1
SCHEMBL22716864 0.83 JAK1 (0.45) JAK1JAK2JAK3GRM4EGLN1

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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