SCHEMBL12595294

SCHEMBL12595294

CCOC(=O)c1ccc2cc3n(c2n1)C(C)C(C)NC3=O

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 15/20 0.60
▸ RPS6KA2 Q15349 5/20 0.43

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
SCHEMBL1984202 1.00 RPS6KA3 (0.60) RPS6KA3RPS6KA2
SCHEMBL14973048 1.00 RPS6KA3 (0.60) RPS6KA3RPS6KA2
SCHEMBL1984204 1.00 RPS6KA3 (0.60) RPS6KA3RPS6KA2
SCHEMBL14973201 0.83 RPS6KA3 (0.64) RPS6KA3RPS6KA2
SCHEMBL14891134 0.79 RPS6KA2 (0.58) RPS6KA3RPS6KA2
SCHEMBL1979445 0.79 RPS6KA2 (0.58) RPS6KA3RPS6KA2
SCHEMBL14891135 0.79 RPS6KA2 (0.58) RPS6KA3RPS6KA2
SCHEMBL1979449 0.79 RPS6KA2 (0.58) RPS6KA3RPS6KA2
SCHEMBL1984989 0.75 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL14973146 0.75 RPS6KA3 (1.00) RPS6KA3RPS6KA2

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-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO disclosed
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