SCHEMBL25049349

SCHEMBL25049349

CNc1ncnc2c1ccn2[C@@H]1C[C@H](C(=O)NCCCNCc2ccc(Oc3ccc(Cl)cc3)c(F)c2)[C@@H](O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 9/20 0.35
▸ WDR77 Q9BQA1 9/20 0.35
▸ PIP4K2A P48426 1/20 0.34
▸ IL6 P05231 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ CCNA2 P20248 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ MET P08581 2/20 0.32
▸ AURKA O14965 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ CSF1R P07333 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31

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
SCHEMBL31617999 0.90 PRMT5 (0.40) PRMT5WDR77
SCHEMBL25049354 0.86 PRMT5 (0.36) PRMT5WDR77
SCHEMBL25046612 0.84 PRMT5 (0.40) PRMT5WDR77
SCHEMBL25047461 0.81 PRMT5 (0.37) PRMT5WDR77
SCHEMBL25046633 0.81 PIP4K2A (0.38) PRMT5WDR77PIP4K2AIL6TLR7
SCHEMBL25046632 0.79 PRMT5 (0.46) PRMT5WDR77
SCHEMBL25049348 0.78 IGF1R (0.37) PRMT5WDR77NAE1
SCHEMBL23120385 0.78 PRMT5 (0.33) PRMT5WDR77
SCHEMBL23120235 0.77 PRMT5 (0.34) PRMT5WDR77
SCHEMBL25049350 0.73 IGF1R (0.38) PRMT5WDR77NAE1

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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