SCHEMBL1979612

SCHEMBL1979612

CC1(C)CNC(=O)c2cc3ccc(C(=O)O)cc3n2C1.CCOC(=O)c1ccc2cc3n(c2c1)CC(C)(C)CNC3=O

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 17/20 0.57
RPS6KA3 P51812 7/20 0.54

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
SCHEMBL1981442 0.96 RPS6KA2 (0.60) RPS6KA2RPS6KA3
SCHEMBL1982424 0.90 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1988922 0.85 RPS6KA2 (0.61) RPS6KA2RPS6KA3
SCHEMBL1980355 0.85 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1983681 0.83 RPS6KA2 (0.62) RPS6KA2RPS6KA3
SCHEMBL1978471 0.82 RPS6KA2 (0.63) RPS6KA2RPS6KA3
SCHEMBL1979864 0.81 RPS6KA2 (0.56) RPS6KA2RPS6KA3
SCHEMBL1979007 0.79 RPS6KA2 (0.60) RPS6KA2RPS6KA3
SCHEMBL3086735 0.79 RPS6KA3 (0.58) RPS6KA2RPS6KA3
SCHEMBL1979429 0.77 RPS6KA3 (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2509980-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE Boehringer Ingelheim International GmbH (DE) 2012-10-17 EP disclosed
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed