SCHEMBL12598636

SCHEMBL12598636

O=C(Nc1c[nH]c(C(=O)NC2CCCC2)n1)c1ccc2cc3n(c2c1)CCCNC3=O

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 20/20 0.71
▸ RPS6KA3 P51812 10/20 0.63

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
SCHEMBL12598632 0.85 RPS6KA2 (0.73) RPS6KA2RPS6KA3
SCHEMBL14893017 0.83 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598727 0.78 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598734 0.78 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598733 0.77 RPS6KA2 (0.73) RPS6KA2RPS6KA3
SCHEMBL12598241 0.77 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL14892751 0.77 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598738 0.77 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598247 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598185 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3

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
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO disclosed
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