SCHEMBL25048728

SCHEMBL25048728

CNc1ncnc2c1ccn2C1CCC(CNCCCNCCc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.39
▸ WDR77 Q9BQA1 6/20 0.36
▸ PIP4K2A P48426 1/20 0.35
▸ METTL3 Q86U44 1/20 0.35
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL25048329 0.97 PRMT5 (0.40) PRMT5WDR77PIP4K2AMETTL3NPC1
SCHEMBL25048261 0.91 IGF1R (0.36) PRMT5WDR77PIP4K2AMETTL3
SCHEMBL25046638 0.91 PRMT5 (0.38) PRMT5WDR77PIP4K2AMETTL3
SCHEMBL25047713 0.90 PRMT5 (0.41) PRMT5WDR77PIP4K2AMETTL3ADORA2A
SCHEMBL25048325 0.90 PRMT5 (0.37) PRMT5WDR77PIP4K2AMETTL3JAK2
SCHEMBL25048878 0.87 EPHX2 (0.38) PRMT5ALDH1A1MEN1KMT2A
SCHEMBL25046802 0.83 PRMT5 (0.54) PRMT5WDR77METTL3
SCHEMBL25047776 0.82 PRMT5 (0.54) PRMT5WDR77METTL3
SCHEMBL25046637 0.81 PRMT5 (0.39) PRMT5WDR77PIP4K2AYTHDC1ADORA1
SCHEMBL31618052 0.80 PRMT5 (0.55) PRMT5WDR77METTL3

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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