SCHEMBL22736539

SCHEMBL22736539

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ TYK2 P29597 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ GCG P01275 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
SCHEMBL29480732 1.00 JAK2 (0.31) JAK2JAK1TYK2JAK3GCG
SCHEMBL29568051 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL22735791 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL29480694 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL22736486 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL29568285 0.92 JAK2 (0.33) JAK2JAK1TYK2JAK3GCG
SCHEMBL22736285 0.91 JAK2 (0.32) JAK2JAK1TYK2JAK3GCG
SCHEMBL29567261 0.91 JAK2 (0.32) JAK2JAK1TYK2JAK3GCG
SCHEMBL29567880 0.90 JAK2 (0.32) JAK2JAK1TYK2JAK3
SCHEMBL22735999 0.89 PIK3CD (0.31) JAK2JAK1TYK2JAK3GCG

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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