SCHEMBL22736472

SCHEMBL22736472

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ GRM4 Q14833 2/20 0.31
▸ JAK3 P52333 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
SCHEMBL29567309 1.00 JAK2 (0.32) JAK2JAK1GRM4JAK3
SCHEMBL22716906 0.87 GRM4 (0.32) JAK2GRM4
SCHEMBL29567531 0.87 GRM4 (0.32) JAK2GRM4
SCHEMBL22736011 0.86 GRM4 (0.35) JAK2GRM4
SCHEMBL29480656 0.86 GRM4 (0.35) JAK2GRM4
SCHEMBL29567114 0.86 JAK2 (0.33) JAK2JAK1GRM4JAK3
SCHEMBL22736243 0.85 JAK2 (0.34) JAK2JAK1GRM4JAK3
SCHEMBL29480616 0.85 JAK2 (0.34) JAK2JAK1GRM4JAK3
SCHEMBL22736187 0.85 GRM4 (0.34) JAK2GRM4
SCHEMBL29568178 0.85 GRM4 (0.34) JAK2GRM4

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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