SCHEMBL22735865

SCHEMBL22735865

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ JAK2 O60674 5/20 0.34
▸ JAK1 P23458 4/20 0.33
▸ HDAC4 P56524 1/20 0.32
▸ GCGR P47871 2/20 0.32
▸ GCG P01275 3/20 0.31
▸ JAK3 P52333 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
SCHEMBL22736499 0.85 JAK2 (0.34) JAK2JAK1HDAC4JAK3
SCHEMBL22735886 0.83 JAK2 (0.33) JAK2JAK1HDAC4JAK3
SCHEMBL22736177 0.83 PDK2 (0.36) PDK2JAK2JAK1GCGRGCG
SCHEMBL22736028 0.83 PDK2 (0.36) PDK2JAK2JAK1GCGRGCG
SCHEMBL29480488 0.82 GRM4 (0.33) JAK2HDAC4
SCHEMBL22735729 0.82 GRM4 (0.33) JAK2HDAC4
SCHEMBL22736504 0.81 MAPK1 (0.38) —
SCHEMBL29480563 0.81 MAPK1 (0.38) —
SCHEMBL22736183 0.81 GRM4 (0.35) JAK1HDAC4
SCHEMBL29480474 0.81 GRM4 (0.35) JAK1HDAC4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP claimed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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