SCHEMBL25047763

SCHEMBL25047763

Cc1cn([C@@H]2O[C@H](CN)[C@H]3OC(C)(C)O[C@H]32)c2ncnc(N(C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.37
▸ P2RX1 P51575 1/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ P2RX4 Q99571 1/20 0.36
▸ ADK P55263 7/20 0.34
▸ AMD1 P17707 2/20 0.33
▸ PRMT5 O14744 6/20 0.32
▸ PRMT9 Q6P2P2 1/20 0.32
▸ METTL3 Q86U44 2/20 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
SCHEMBL25046560 0.84 ADK (0.41) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL25047819 0.80 WDR5 (0.33) ADKPRMT5PRMT9METTL3
SCHEMBL25047770 0.78 SRC (0.33) ADK
SCHEMBL25047424 0.75 ADK (0.45) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18571623 0.71 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL20239108 0.71 ADK (0.46) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18571700 0.71 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL4896950 0.71 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12379190 0.71 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18512601 0.71 PI4KA (0.54) PI4KAPI4K2BPI4K2API4KBRXFP1

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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