SCHEMBL23584682

SCHEMBL23584682

CNc1ncnc2c1ccn2[C@H]1CCC(CN2CCC(CNC(=O)OC(C)(C)C)C2)O1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CCRL2 O00421 1/20 0.39
▸ DRD2 P14416 2/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ PRMT5 O14744 2/20 0.36
▸ WDR77 Q9BQA1 2/20 0.36
▸ ACACB O00763 7/20 0.35
▸ ACACA Q13085 7/20 0.35
▸ DDR1 Q08345 3/20 0.35
▸ GPR119 Q8TDV5 1/20 0.34
▸ SUV39H2 Q9H5I1 1/20 0.33

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
SCHEMBL23584451 0.90 JAK2 (0.40) JAK2JAK1CCRL2DRD2CKS1B
SCHEMBL23584567 0.85 DRD2 (0.38) JAK2JAK1CCRL2DRD2CKS1B
SCHEMBL23584729 0.85 PRMT5 (0.38) JAK2JAK1CCRL2DRD2PRMT5
SCHEMBL22434971 0.82 SIRT2 (0.41) JAK2JAK1PRMT5WDR77
SCHEMBL23584552 0.79 PRMT5 (0.38) PRMT5WDR77
SCHEMBL23584625 0.79 PRMT5 (0.36) PRMT5WDR77
SCHEMBL23584710 0.77 PRMT5 (0.44) PRMT5WDR77
SCHEMBL23584551 0.76 DDR1 (0.36) CCRL2DRD2CKS1BSKP1SKP2
SCHEMBL22435004 0.75 PRMT5 (0.37) JAK2JAK1PRMT5WDR77
SCHEMBL23584612 0.74 MAP4K4 (0.47) JAK2JAK1PRMT5WDR77

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
EP-3426664-B1 SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-06-30 — — EP disclosed
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