SCHEMBL889780

SCHEMBL889780

[2H]C[C@H]1O[C@@H](n2ncc3c(=O)[nH]c(C)nc32)CC1OC(=O)CCC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 1/20 0.35
▸ CCND1 P24385 1/20 0.35
▸ PDE9A O76083 19/20 0.34
▸ PDE1C Q14123 2/20 0.34
▸ PDE1B Q01064 3/20 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
SCHEMBL889896 0.91 CDK4 (0.34) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL13889498 0.88 PDE9A (0.34) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL12601707 0.88 PDE9A (0.34) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL12601702 0.79 PDE9A (0.33) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL13889500 0.79 PDE9A (0.33) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL889888 0.74 RET (0.37) —
SCHEMBL13889499 0.70 TK2 (0.40) CDK4CCND1PDE9APDE1CPDE1B
SCHEMBL889922 0.67 SMN1; SMN2 (0.36) —
SCHEMBL16417829 0.67 RNASE1 (0.49) —
SCHEMBL17930897 0.67 RNASE1 (0.49) —

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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