SCHEMBL22736486

SCHEMBL22736486

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 4/20 0.33
▸ JAK1 P23458 3/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ GCG P01275 2/20 0.31
▸ GRM4 Q14833 1/20 0.31
▸ GCGR P47871 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
SCHEMBL22735791 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2GCG
SCHEMBL29568285 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2GCG
SCHEMBL29480694 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2GCG
SCHEMBL29568051 1.00 JAK2 (0.33) JAK2JAK1JAK3TYK2GCG
SCHEMBL29567261 0.93 JAK2 (0.32) JAK2JAK1JAK3TYK2GCG
SCHEMBL22736285 0.93 JAK2 (0.32) JAK2JAK1JAK3TYK2GCG
SCHEMBL22736539 0.92 JAK2 (0.31) JAK2JAK1JAK3TYK2GCG
SCHEMBL29480732 0.92 JAK2 (0.31) JAK2JAK1JAK3TYK2GCG
SCHEMBL29567880 0.92 JAK2 (0.32) JAK2JAK1JAK3TYK2GRM4
SCHEMBL29567114 0.92 JAK2 (0.33) JAK2JAK1JAK3TYK2GCG

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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