SCHEMBL1978590

SCHEMBL1978590

Cc1[nH]c(C(=O)NC2CCCC2)nc1NC(=O)c1ccc2cc3n(c2c1)C(C)CCNC3=O

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 19/20 0.68
RPS6KA3 P51812 1/20 0.59
MAPKAPK2 P49137 1/20 0.57

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
SCHEMBL12598632 0.85 RPS6KA2 (0.73) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL1979125 0.82 RPS6KA2 (0.68) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL1978192 0.81 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL14891752 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598248 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598735 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598245 0.76 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL14907208 0.74 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2
SCHEMBL12598758 0.74 RPS6KA2 (1.00) RPS6KA2RPS6KA3
SCHEMBL12598764 0.74 RPS6KA2 (1.00) RPS6KA2RPS6KA3MAPKAPK2

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