SCHEMBL21130304

SCHEMBL21130304

C[C@@H]1[C@@H](n2ccc3c(Cl)ncnc32)[C@@H]2OC(C)(C)O[C@@H]2[C@@]1(C)CO

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 15/20 0.37
▸ WDR77 Q9BQA1 15/20 0.37
▸ PI4KA P42356 1/20 0.32
▸ PI4K2B Q8TCG2 1/20 0.32
▸ PI4K2A Q9BTU6 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ HRH2 P25021 1/20 0.31
▸ HTR5A P47898 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
SCHEMBL22521487 0.84 HTR2B (0.38) PRMT5WDR77HRH2HTR5A
SCHEMBL23430009 0.84 HTR2B (0.38) PRMT5WDR77HRH2HTR5A
SCHEMBL29566386 0.84 HTR2B (0.38) PRMT5WDR77HRH2HTR5A
SCHEMBL22521414 0.84 HTR2B (0.38) PRMT5WDR77HRH2HTR5A
SCHEMBL22509807 0.82 PRMT5 (0.35) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL22787756 0.82 PRMT5 (0.35) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL21682243 0.81 PRMT5 (0.40) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL22509701 0.81 PRMT5 (0.36) PRMT5WDR77PI4KAPI4K2BPI4K2A
SCHEMBL24659488 0.78 PRMT5 (0.36) PRMT5WDR77
SCHEMBL23786794 0.78 PRMT5 (0.37) PRMT5WDR77PI4KAPI4K2BPI4K2A

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-2019116302-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS PRMT5 INHIBITORS LUPIN LIMITED (IN) 2019-06-20 — — WO disclosed
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