SCHEMBL12598261

SCHEMBL12598261

NC(=O)c1ccc2cc3n(c2c1)CC1(CCNCC1)CNC3=O

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 19/20 0.64
RPS6KA3 P51812 5/20 0.60

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
SCHEMBL14904452 0.89 RPS6KA2 (0.67) RPS6KA2RPS6KA3
SCHEMBL1978471 0.84 RPS6KA2 (0.63) RPS6KA2RPS6KA3
SCHEMBL1993378 0.83 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL14904446 0.82 RPS6KA2 (0.64) RPS6KA2RPS6KA3
SCHEMBL1985895 0.81 RPS6KA2 (0.65) RPS6KA2RPS6KA3
SCHEMBL12598640 0.79 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL1978769 0.78 RPS6KA2 (0.61) RPS6KA2RPS6KA3
SCHEMBL1978812 0.78 RPS6KA3 (0.85) RPS6KA2RPS6KA3
SCHEMBL14904455 0.77 RPS6KA2 (0.58) RPS6KA2RPS6KA3
SCHEMBL14904449 0.77 RPS6KA2 (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011071716-A1 HETEROCYCLIC COMPOUNDS CONTAINING AN INDOLE CORE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-16 WO disclosed