SCHEMBL25048971

SCHEMBL25048971

Nc1nc(Cl)nc2c1c(-c1ccccc1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccc(F)cc2)[C@@H](O)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.38
▸ METTL3 Q86U44 5/20 0.36
▸ PRMT5 O14744 2/20 0.35
▸ ABL1 P00519 2/20 0.34
▸ EGFR P00533 2/20 0.34
▸ ABL2 P42684 2/20 0.34
▸ SRC P12931 4/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 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
SCHEMBL25048478 0.89 METTL3 (0.35) CA2METTL3PRMT5ABL1EGFR
SCHEMBL30940989 0.89 METTL3 (0.35) CA2METTL3PRMT5ABL1EGFR
SCHEMBL25047879 0.89 ABL1 (0.39) ABL1EGFRABL2SRCLMNA
SCHEMBL25048295 0.88 PRMT5 (0.33) CA2METTL3PRMT5SLC6A2SLC6A4
SCHEMBL30941294 0.88 METTL3 (0.34) CA2METTL3PRMT5ABL1EGFR
SCHEMBL31618011 0.88 ABL1 (0.49) CA2METTL3ABL1EGFRABL2
SCHEMBL25048714 0.88 ABL1 (0.49) CA2METTL3ABL1EGFRABL2
SCHEMBL25049351 0.88 METTL3 (0.45) CA2METTL3PRMT5
SCHEMBL25046695 0.88 METTL3 (0.45) CA2METTL3PRMT5
SCHEMBL30941447 0.88 METTL3 (0.45) CA2METTL3PRMT5

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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