SCHEMBL18572643

SCHEMBL18572643

CC(C)OC[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 11/20 0.53
▸ WDR77 Q9BQA1 11/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.51
▸ PI4KA P42356 1/20 0.50
▸ PI4K2B Q8TCG2 1/20 0.50
▸ PI4K2A Q9BTU6 1/20 0.50
▸ PI4KB Q9UBF8 1/20 0.50
▸ ADK P55263 1/20 0.49
▸ P2RX1 P51575 1/20 0.47
▸ P2RX3 P56373 1/20 0.47
▸ P2RX4 Q99571 1/20 0.47
▸ AMD1 P17707 2/20 0.44
▸ DNMT1 P26358 1/20 0.44
▸ DNMT3B Q9UBC3 1/20 0.44

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
SCHEMBL18572642 0.89 PRMT5 (0.56) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL9915115 0.86 PI4KA (0.55) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL22334075 0.85 PI4KA (0.69) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL22334076 0.85 PI4KA (0.69) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL15397029 0.85 PI4KA (0.69) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL22434784 0.85 PI4KA (0.69) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL18572224 0.85 PRMT5 (0.52) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL15506579 0.83 PI4KA (0.53) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL16882801 0.83 PI4KA (0.53) PRMT5WDR77RXFP1PI4KAPI4K2B
SCHEMBL18571925 0.82 PRMT5 (0.58) PRMT5WDR77RXFP1

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-2017032840-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
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