SCHEMBL22736261

SCHEMBL22736261

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

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.34
▸ JAK2 O60674 10/20 0.34
▸ JAK1 P23458 9/20 0.34
▸ JAK3 P52333 4/20 0.34
▸ GCG P01275 2/20 0.32
▸ TYK2 P29597 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ INCENP Q9NQS7 1/20 0.32
▸ TPX2 Q9ULW0 1/20 0.32
▸ EGLN1 Q9GZT9 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
SCHEMBL29567583 1.00 GRM4 (0.34) GRM4JAK2JAK1JAK3GCG
SCHEMBL22716878 0.90 GCG (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL29567490 0.90 GCG (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL29568051 0.89 JAK2 (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL29568285 0.89 JAK2 (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL22735791 0.89 JAK2 (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL22736486 0.89 JAK2 (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL29480694 0.89 JAK2 (0.33) GRM4JAK2JAK1JAK3GCG
SCHEMBL22736256 0.88 GCG (0.32) GRM4JAK2JAK1JAK3GCG
SCHEMBL29567135 0.88 GCG (0.32) GRM4JAK2JAK1JAK3GCG

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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