SCHEMBL20049536

SCHEMBL20049536

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDPK1 O15530 1/20 0.36
▸ ACACB O00763 3/20 0.35
▸ GPR119 Q8TDV5 3/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ UBA6 A0AVT1 1/20 0.33
▸ JAK1 P23458 2/20 0.32
▸ JAK3 P52333 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ ADCY5 O95622 5/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ SRC P12931 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
SCHEMBL20049565 0.87 PDPK1 (0.39) PDPK1ACACBGPR119PRMT5WDR77
SCHEMBL20049592 0.80 PRMT5 (0.44) PDPK1ACACBGPR119PRMT5WDR77
SCHEMBL19714858 0.79 PDPK1 (0.40) PDPK1ACACBGPR119PRMT5WDR77
SCHEMBL25047421 0.79 JAK1 (0.38) ACACBGPR119PRMT5WDR77UBA6
SCHEMBL18572228 0.72 PDPK1 (0.40) PDPK1GPR119JAK3
SCHEMBL25949266 0.72 PDPK1 (0.37) PDPK1ACACBGPR119PRMT5WDR77
SCHEMBL22002163 0.72 PDPK1 (0.37) PDPK1ACACBGPR119PRMT5WDR77
SCHEMBL18571923 0.72 PDPK1 (0.40) PDPK1GPR119JAK3
SCHEMBL22002066 0.70 PDPK1 (0.36) PDPK1GPR119PRMT5WDR77JAK3
SCHEMBL23892341 0.70 PDPK1 (0.36) PDPK1GPR119PRMT5WDR77JAK3

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
Send feedback