SCHEMBL12595355

SCHEMBL12595355

CN1CC(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)NC1C(=O)NC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 19/20 0.62
▸ RPS6KA2 Q15349 1/20 0.48

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
SCHEMBL1982123 0.77 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1981735 0.71 RPS6KA3 (0.63) RPS6KA3
SCHEMBL1987648 0.70 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1986808 0.69 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1982397 0.69 RPS6KA3 (1.00) RPS6KA3
SCHEMBL1990087 0.69 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595469 0.69 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1987468 0.69 RPS6KA3 (0.78) RPS6KA3RPS6KA2
SCHEMBL1984745 0.69 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595977 0.68 RPS6KA3 (1.00) RPS6KA3

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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