SCHEMBL22736480

SCHEMBL22736480

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 5/20 0.34
▸ PDK2 Q15119 5/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ GCG P01275 4/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ GCGR P47871 1/20 0.32
▸ GRM4 Q14833 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
SCHEMBL29480601 1.00 JAK2 (0.34) JAK2PDK2JAK1GCGEGLN1
SCHEMBL22736494 1.00 JAK2 (0.34) JAK2PDK2JAK1GCGEGLN1
SCHEMBL29567482 1.00 JAK2 (0.34) JAK2PDK2JAK1GCGEGLN1
SCHEMBL29480642 1.00 JAK2 (0.34) JAK2PDK2JAK1GCGEGLN1
SCHEMBL22736497 1.00 JAK2 (0.34) JAK2PDK2JAK1GCGEGLN1
SCHEMBL29567075 0.92 PDK2 (0.35) JAK2PDK2JAK1GCGEGLN1
SCHEMBL22736259 0.92 PDK2 (0.35) JAK2PDK2JAK1GCGEGLN1
SCHEMBL22736481 0.89 GCG (0.35) JAK2PDK2JAK1GCGEGLN1
SCHEMBL29568014 0.89 GCG (0.35) JAK2PDK2JAK1GCGEGLN1
SCHEMBL22736487 0.87 JAK2 (0.33) JAK2GCGEGLN1GRM4

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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