SCHEMBL17014881

SCHEMBL17014881

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNB2 O95067 8/20 0.37
▸ CDK1 P06493 8/20 0.37
▸ CCNB1 P14635 8/20 0.37
▸ CCNB3 Q8WWL7 8/20 0.37
▸ CDK5 Q00535 4/20 0.37
▸ CDK5R1 Q15078 4/20 0.37
▸ CDK2 P24941 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CYP2C9 P11712 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
SCHEMBL14867641 0.89 CCNB2 (0.32) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL20051998 0.85 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL17014883 0.76 KDM4E (0.39) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL13896532 0.73 AHCY (0.40) CCNB2CDK1CCNB1CCNB3CDK2
SCHEMBL13443480 0.72 L3MBTL1 (0.36) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL14867658 0.72 KDM4E (0.35) KDM4EMEN1KMT2AL3MBTL1
SCHEMBL23547997 0.72 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL25605580 0.72 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL22759882 0.72 CCNB2 (0.35) CCNB2CDK1CCNB1CCNB3CDK5
SCHEMBL12416177 0.71 PRMT6 (0.36) ADORA3ADORA2AADORA1PRMT6

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-9303260-B2 UNA duplex oligomers for therapeutics ARCTURUS THERAPEUTICS, INC. (US) 2016-04-05 — — US disclosed
US-20150232849-A1 UNA DUPLEX OLIGOMERS FOR THERAPEUTICS MARINA BIOTECH, INC. 2015-08-20 — — US disclosed
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