SCHEMBL14867641

SCHEMBL14867641

[2H]C[C@H](COP(C)OCCC#N)O[C@H](COC(=O)c1ccccc1)n1cnc2c(NC(=O)c3ccccc3)ncnc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 2/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CCNB1 P14635 2/20 0.32
▸ CCNB3 Q8WWL7 2/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CDK2 P24941 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
SCHEMBL20051998 0.95 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL17014881 0.89 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL13896531 0.84 CCNB2 (0.37) CCNB2CDK1CCNB1CCNB3PRMT6
SCHEMBL14867658 0.82 KDM4E (0.35) L3MBTL1
SCHEMBL13443480 0.81 L3MBTL1 (0.36) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL20052010 0.80 CCNB2 (0.40) CCNB2CDK1CCNB1CCNB3PRMT6
SCHEMBL20052007 0.77 KDM4E (0.36) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL14867649 0.76 POLB (0.31) —
SCHEMBL13896532 0.76 AHCY (0.40) CCNB2CDK1CCNB1CCNB3PRMT6
SCHEMBL13443484 0.75 L3MBTL1 (0.41) CCNB2CDK1CCNB1CCNB3PRMT6

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
US-20130096289-A1 HYDROXYMETHYL SUBSTITUTED RNA OLIGONUCLEOTIDES AND RNA COMPLEXES MARINA BIOTECH, INC. (US) 2013-04-18 — — US disclosed
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