SCHEMBL22736320

SCHEMBL22736320

CS(=O)(=O)CCC(C#N)c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 2/20 0.32
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ GCG P01275 2/20 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
SCHEMBL29567465 1.00 GRM4 (0.32) GRM4JAK2JAK1JAK3EGLN1
SCHEMBL29480651 0.88 — —
SCHEMBL22736041 0.84 GRM4 (0.32) GRM4EGLN1GCG
SCHEMBL29567639 0.84 GRM4 (0.32) GRM4EGLN1GCG
SCHEMBL22716782 0.84 JAK2 (0.36) GRM4JAK2JAK1JAK3GCG
SCHEMBL29480498 0.84 JAK2 (0.36) GRM4JAK2JAK1JAK3GCG
SCHEMBL29567290 0.81 EGLN1 (0.38) GRM4EGLN1GCG
SCHEMBL29480764 0.81 GRM4 (0.32) GRM4
SCHEMBL22736004 0.77 — —
SCHEMBL22736330 0.76 GCG (0.30) GRM4GCG

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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