SCHEMBL25049348

SCHEMBL25049348

CNc1ncnc2c1ccn2[C@@H]1C[C@H](C(=O)NCCCNCCc2cccc(Oc3ccccc3)c2)[C@@H](O)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 2/20 0.37
▸ PRMT5 O14744 6/20 0.36
▸ NAE1 Q13564 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ UBA6 A0AVT1 1/20 0.35
▸ NEDD8 Q15843 1/20 0.35
▸ UBA3 Q8TBC4 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ FDFT1 P37268 3/20 0.34
▸ LCK P06239 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TEK Q02763 1/20 0.34
▸ WDR77 Q9BQA1 2/20 0.34
▸ METTL3 Q86U44 1/20 0.34
▸ CCR8 P51685 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
SCHEMBL25049350 0.96 IGF1R (0.38) IGF1RPRMT5NAE1CA2GRK5
SCHEMBL31618056 0.89 PRMT5 (0.43) PRMT5WDR77METTL3
SCHEMBL31618015 0.84 PRMT5 (0.44) PRMT5WDR77METTL3
SCHEMBL25048261 0.83 IGF1R (0.36) IGF1RPRMT5LCKSRCKDR
SCHEMBL31618039 0.83 PRMT5 (0.41) PRMT5WDR77
SCHEMBL25047809 0.83 PRMT5 (0.41) PRMT5WDR77
SCHEMBL31618087 0.81 PRMT5 (0.49) PRMT5WDR77METTL3
SCHEMBL25048258 0.81 PRMT5 (0.49) PRMT5WDR77METTL3
SCHEMBL25048777 0.80 PRMT5 (0.41) PRMT5FDFT1WDR77METTL3
SCHEMBL25049352 0.79 PRMT5 (0.42) PRMT5FDFT1WDR77METTL3

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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