SCHEMBL23629680

SCHEMBL23629680

C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5cccc(N)c5)c4)nc3n21.C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5N)c4)nc3n21

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 17/20 0.90
RPS6KA2 Q15349 8/20 0.90
RPS6KA1 Q15418 3/20 0.78
RPS6KA6 Q9UK32 3/20 0.78

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
SCHEMBL19252845 0.95 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19252963 0.94 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1988119 0.89 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL1993377 0.89 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19278647 0.88 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
SCHEMBL19252896 0.88 RPS6KA3 (1.00) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL19252861 0.87 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL31669012 0.87 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL31669013 0.87 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6
Hydrochloric Acid SCHEMBL29477399 0.87 RPS6KA3 (0.98) RPS6KA3RPS6KA2RPS6KA1RPS6KA6

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-3848373-A1 N-(1-((HETEROCYCLYL)METHYL)-1H-PYRAZOL-4-YL)-6-OXO-6,7,8,9- TETRAHYDROPYRIDO[3',2':4,5]PYRROLO[L,2-A]PYRAZINE-2-CARBOXAMIDE DERIVATIVES AS P90 RIBOSOMAL S6 KINASE (RSK) INHIBITORS FOR TREATING CANCER Phoenix Molecular Designs (CA) 2021-07-14 EP disclosed