SCHEMBL4717657

SCHEMBL4717657

CC(C)(C)OC(=O)NCCCCn1c(-c2nonc2N)nc2cnccc21

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 13/20 0.64
DYRK1A Q13627 2/20 0.57
RPS6KB1 P23443 1/20 0.57
CDK2 P24941 1/20 0.57
ROCK1 Q13464 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
STING1 Q86WV6 1/20 0.48
HTT P42858 2/20 0.47

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
SCHEMBL4718418 0.97 RPS6KA5 (0.63) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL6647038 0.85 RPS6KA5 (0.72) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL4718484 0.80 RPS6KA5 (0.55) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL7499604 0.80 STING1 (0.49) DYRK1ASTING1
SCHEMBL4715639 0.79 RPS6KA5 (0.64) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL4719459 0.79 RPS6KA5 (1.00) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
Trifluoroacetic Acid SCHEMBL4717303 0.77 RPS6KA5 (0.52) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL4717136 0.74 RPS6KA5 (1.00) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL4809663 0.71 DYRK1A (0.74) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1
SCHEMBL14252445 0.71 RPS6KA5 (0.64) RPS6KA5DYRK1ARPS6KB1CDK2ROCK1

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-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed