SCHEMBL20049565

SCHEMBL20049565

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncnc2c1ccn2C1CCC(CO)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.39
▸ GPR119 Q8TDV5 3/20 0.36
▸ ACACB O00763 1/20 0.36
▸ JAK1 P23458 2/20 0.34
▸ JAK3 P52333 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ ADCY5 O95622 2/20 0.34
▸ SRC P12931 8/20 0.34
▸ UBA6 A0AVT1 1/20 0.34

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
SCHEMBL20049536 0.87 PDPK1 (0.36) PDPK1GPR119ACACBJAK1JAK3
SCHEMBL19714858 0.84 PDPK1 (0.40) PDPK1GPR119ACACBJAK1JAK3
SCHEMBL25047421 0.83 JAK1 (0.38) GPR119ACACBJAK1JAK3JAK2
SCHEMBL20049592 0.81 PRMT5 (0.44) PDPK1GPR119ACACBPRMT5WDR77
SCHEMBL18571923 0.80 PDPK1 (0.40) PDPK1GPR119JAK3
SCHEMBL18572228 0.80 PDPK1 (0.40) PDPK1GPR119JAK3
SCHEMBL25948966 0.76 ABL1 (0.37) PDPK1GPR119JAK3SRC
SCHEMBL23892335 0.76 ABL1 (0.37) PDPK1GPR119JAK3SRC
SCHEMBL20049564 0.76 PDPK1 (0.34) PDPK1JAK1JAK3PRMT5WDR77
SCHEMBL25047393 0.76 PRMT5 (0.40) ACACBPRMT5WDR77ADCY5

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-2018065365-A1 NOVEL MONOCYCLIC AND BICYCLIC RING SYSTEM SUBSTITUTED CARBANUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-04-12 — — WO disclosed
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