SCHEMBL7921755

SCHEMBL7921755

CC(C)C(=O)Nc1nc(Cl)c2ncn([C@@H]3C[C@@H]4O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]4O3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ FGFR1 P11362 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ STING1 Q86WV6 1/20 0.30

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
SCHEMBL19827872 0.85 ACHE (0.41) ACHESTING1
SCHEMBL21136248 0.85 ACHE (0.36) ACHEKDM4ECDK5CDK5R1FGFR1
SCHEMBL18061768 0.85 ACHE (0.36) ACHEKDM4ECDK5CDK5R1FGFR1
SCHEMBL26780401 0.85 ACHE (0.36) ACHEKDM4ECDK5CDK5R1FGFR1
SCHEMBL18061767 0.85 ACHE (0.41) ACHESTING1
SCHEMBL8668421 0.84 NT5E (0.36) STING1
SCHEMBL18061764 0.81 ACHE (0.37) ACHEKDM4ECDK5CDK5R1
SCHEMBL30534045 0.80 ACHE (0.33) ACHE
SCHEMBL21136249 0.80 ACHE (0.33) ACHE
SCHEMBL18061770 0.80 ACHE (0.33) ACHE

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-6232463-B1 CROSSLINKING OLIGONUCLEOTIDES CONTAINING PURINE ANALOGS HAVING REACTIVE SITES ON THE NUCLEOBASE AND ON A SUGAR MOIETY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2001-05-15 — — US disclosed
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