SCHEMBL12595348

SCHEMBL12595348

O=C(Nc1cc(Cc2ccccc2)on1)c1ccc2cc3n(c2n1)CCNC3=O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 19/20 0.75
▸ RPS6KA2 Q15349 1/20 0.67

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
SCHEMBL12594994 0.85 RPS6KA3 (1.00) RPS6KA3
SCHEMBL1982352 0.85 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1990008 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL14972948 0.83 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1987068 0.81 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL12598724 0.80 RPS6KA2 (1.00) RPS6KA3RPS6KA2
SCHEMBL14972908 0.78 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1982770 0.78 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL1982771 0.78 RPS6KA3 (1.00) RPS6KA3RPS6KA2
SCHEMBL14972909 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 2 patents. 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
WO-2011071725-A1 HETEROCYCLIC COMPOUNDS CONTAINING A PYRROLOPYRIDINE OR BENZIMIDAZOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 — — WO disclosed
Send feedback