SCHEMBL889767

SCHEMBL889767

[2H]C[C@H]1O[C@@H](n2ncc3c(=O)[nH]c(C)nc32)CC1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ TYK2 P29597 1/20 0.38
▸ PDE9A O76083 18/20 0.38
▸ PDE1C Q14123 3/20 0.36
▸ PDE1B Q01064 3/20 0.35

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
SCHEMBL13889499 0.83 TK2 (0.40) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL12601708 0.83 TK2 (0.40) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL889780 0.79 CDK4 (0.35) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL889896 0.77 CDK4 (0.34) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL23786492 0.71 ADRB1 (0.47) —
SCHEMBL12123502 0.71 ADRB1 (0.47) —
SCHEMBL889695 0.71 ADRB1 (0.47) —
SCHEMBL14570606 0.71 ADRB1 (0.47) —
SCHEMBL14771558 0.69 PDE9A (0.66) PDE9APDE1C
SCHEMBL13889498 0.69 PDE9A (0.34) CDK4CCND1PDE9APDE1CPDE1B

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-8431366-B2 Modified oligonucleotides and applications thereof APPLIED BIOSYSTEMS, LLC (US) 2013-04-30 — — US disclosed
US-20110287431-A1 MODIFIED OLIGONUCLEOTIDES AND APPLICATIONS THEREOF Life Technologies Corporation (US) 2011-11-24 — — US disclosed
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