SCHEMBL22736259

SCHEMBL22736259

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 5/20 0.35
▸ GCG P01275 7/20 0.35
▸ GCGR P47871 3/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ JAK1 P23458 3/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL29567075 1.00 PDK2 (0.35) PDK2GCGGCGRJAK2JAK1
SCHEMBL22736028 0.92 PDK2 (0.36) PDK2GCGGCGRJAK2JAK1
SCHEMBL22736177 0.92 PDK2 (0.36) PDK2GCGGCGRJAK2JAK1
SCHEMBL29480601 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL22736480 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL29480642 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL22736497 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL22736494 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL29567482 0.92 JAK2 (0.34) PDK2GCGGCGRJAK2JAK1
SCHEMBL22735965 0.89 RIPK2 (0.34) GCGJAK2JAK1

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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