SCHEMBL25048040

SCHEMBL25048040

Nc1nc(Cl)nc2c1c(-c1nccs1)cn2[C@@H]1C[C@H](C2CCN(CCc3ccccc3)CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.36
▸ PRCP P42785 4/20 0.33
▸ SCN1A P35498 1/20 0.33
▸ SCN8A Q9UQD0 1/20 0.33
▸ CA2 P00918 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ DRD4 P21917 2/20 0.31
▸ DRD3 P35462 2/20 0.31
▸ EGFR P00533 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ METTL3 Q86U44 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ ACKR3 P25106 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
SCHEMBL25047888 0.94 ADK (0.36) ADKADORA3ADORA2A
SCHEMBL25047998 0.93 ADK (0.37) ADKSCN1ASCN8ACA2ADORA3
SCHEMBL25048046 0.85 PRCP (0.34) ADKPRCPSCN1ASCN8AMEN1
SCHEMBL30941247 0.84 METTL3 (0.39) DRD4DRD3DRD2METTL3
SCHEMBL30941232 0.83 ADK (0.34) ADKCA2METTL3
SCHEMBL25049368 0.83 ADK (0.34) ADKCA2METTL3
SCHEMBL25048614 0.82 ADK (0.41) ADKADORA3ADORA2A
SCHEMBL25048044 0.82 C1S (0.31) CA2DRD4DRD3DRD2
SCHEMBL31617955 0.82 C1S (0.31) CA2DRD4DRD3DRD2
Hydrochloric Acid SCHEMBL30941458 0.81 C1S (0.31) CA2DRD4DRD3DRD2

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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