SCHEMBL25047421

SCHEMBL25047421

CN(C(=O)OC(C)(C)C)c1ncnc2c1ccn2C1CCC(CN)C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 4/20 0.38
▸ JAK3 P52333 3/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ GPR119 Q8TDV5 3/20 0.36
▸ ADCY5 O95622 5/20 0.35
▸ PRMT5 O14744 1/20 0.35
▸ WDR77 Q9BQA1 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ UBA6 A0AVT1 1/20 0.34
▸ SRC P12931 3/20 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
SCHEMBL20049565 0.83 PDPK1 (0.39) JAK1JAK3JAK2GPR119ADCY5
SCHEMBL20049536 0.79 PDPK1 (0.36) JAK1JAK3JAK2GPR119ADCY5
SCHEMBL29743109 0.77 PRMT5 (0.34) JAK1JAK3JAK2PRMT5WDR77
SCHEMBL25047420 0.77 PRMT5 (0.34) JAK1JAK3JAK2PRMT5WDR77
SCHEMBL23892580 0.76 GPR119 (0.33) JAK1JAK3JAK2GPR119PRMT5
SCHEMBL25949326 0.75 GPR119 (0.33) JAK1JAK3JAK2GPR119
SCHEMBL23137091 0.75 JAK2 (0.31) JAK1JAK3JAK2GPR119
SCHEMBL19714858 0.75 PDPK1 (0.40) JAK1JAK3JAK2GPR119ADCY5
SCHEMBL25046560 0.74 ADK (0.41) PRMT5WDR77
SCHEMBL25047848 0.73 ADK (0.50) ADCY5PRMT5WDR77

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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