SCHEMBL25047472

SCHEMBL25047472

CNc1ncnc2c1ccn2[C@H]1CC[C@@H](CN(CCCNCCc2ccccc2)c2ccn(C)n2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.35
▸ KMT2A Q03164 6/20 0.35
▸ ATM Q13315 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ PRMT5 O14744 4/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ NR2F2 P24468 1/20 0.31
▸ PIP4K2A P48426 1/20 0.30
▸ METTL3 Q86U44 1/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL30940820 0.84 PRMT5 (0.47) PRMT5METTL3WDR77
SCHEMBL25049357 0.84 PRMT5 (0.47) PRMT5METTL3WDR77
SCHEMBL25047968 0.83 — —
SCHEMBL25048728 0.82 PRMT5 (0.39) MEN1KMT2APRMT5NPC1RAB9A
SCHEMBL25048329 0.79 PRMT5 (0.40) PRMT5NPC1RAB9APIP4K2AMETTL3
SCHEMBL25048366 0.77 PRMT5 (0.37) PRMT5PIP4K2AMETTL3WDR77
SCHEMBL25046621 0.76 PIP4K2A (0.31) PRMT5PIP4K2AWDR77
SCHEMBL25048325 0.75 PRMT5 (0.37) PRMT5PIP4K2AMETTL3WDR77
SCHEMBL25046638 0.74 PRMT5 (0.38) PRMT5PIP4K2AMETTL3WDR77
SCHEMBL25047713 0.73 PRMT5 (0.41) PRMT5PIP4K2AMETTL3WDR77

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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