SCHEMBL17764077

SCHEMBL17764077

CC1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4C)nc3n21

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 15/20 0.81
▸ RPS6KA2 Q15349 5/20 0.75

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
SCHEMBL1984978 0.90 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595455 0.87 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1979710 0.86 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595469 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595451 0.81 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL14973044 0.81 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1987627 0.79 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL14973127 0.78 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595454 0.78 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12595468 0.78 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
EP-2509979-B1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INT (DE) 2016-05-25 — — EP disclosed
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