SCHEMBL17936459

SCHEMBL17936459

CC1(C)O[C@@H]2[C@@H](CN=[N+]=[N-])C[C@@H](n3ccc4c(NC5CC5)ncnc43)[C@@H]2O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 11/20 0.34
▸ WDR77 Q9BQA1 10/20 0.34
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ SRC P12931 2/20 0.32
▸ TP53 P04637 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADK P55263 1/20 0.32
▸ SCN9A Q15858 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
SCHEMBL17302276 1.00 PRMT5 (0.34) PRMT5WDR77IRAK4SRCTP53
SCHEMBL23120133 0.90 PRMT5 (0.42) PRMT5WDR77ADK
SCHEMBL30941081 0.90 PRMT5 (0.42) PRMT5WDR77ADK
SCHEMBL9285084 0.86 PRMT5 (0.37) PRMT5WDR77IRAK4
SCHEMBL9282147 0.86 PRMT5 (0.37) PRMT5WDR77IRAK4
SCHEMBL17302255 0.85 PRMT5 (0.41) PRMT5WDR77
SCHEMBL15381065 0.85 NNMT (0.35) ADK
SCHEMBL17302256 0.84 PRMT5 (0.30) PRMT5WDR77
SCHEMBL9288000 0.82 PRMT5 (0.36) PRMT5WDR77IRAK4SRCTP53
SCHEMBL9286844 0.82 PRMT5 (0.36) PRMT5WDR77IRAK4SRCTP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394310-B2 Carbocycle-substituted purine and 7-deazapurine compounds Epizyme, Inc. (US) 2016-07-19 — — US disclosed
WO-2012075492-A2 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. (US) 2012-06-07 — — WO disclosed
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