SCHEMBL25048673

SCHEMBL25048673

C#Cc1ccc(CCN(CCCNC[C@@H]2O[C@H](n3cnc4c(CC)ncnc43)[C@H]3OC(C)(C)O[C@H]32)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.36
▸ P2RX1 P51575 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ P2RX4 Q99571 1/20 0.35
▸ WDR5 P61964 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RBBP5 Q15291 2/20 0.34
▸ DPY30 Q9C005 2/20 0.34
▸ ASH2L Q9UBL3 2/20 0.34
▸ DOT1L Q8TEK3 2/20 0.34
▸ NNMT P40261 1/20 0.33
▸ EZH2 Q15910 3/20 0.33
▸ AMD1 P17707 2/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 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
SCHEMBL25047819 0.76 WDR5 (0.33) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL25047839 0.75 DOT1L (0.34) PI4KAPI4K2BPI4K2API4KBWDR5
SCHEMBL25047774 0.75 DOT1L (0.38) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL14703565 0.73 DOT1L (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL804138 0.73 DOT1L (0.49) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17777367 0.71 DOT1L (0.61) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9970622 0.70 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395441 0.70 PI4KA (0.60) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL15395684 0.70 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL19532451 0.69 PI4KA (0.49) 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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