SCHEMBL4717430

SCHEMBL4717430

CC(C)(CCN)Oc1ccc(-n2c(-c3nonc3N)nc3cnccc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RPS6KA5 O75582 15/20 0.66
DYRK1A Q13627 2/20 0.53
RPS6KB1 P23443 5/20 0.53
ROCK1 Q13464 3/20 0.53
CDK2 P24941 1/20 0.53
RPS6KA1 Q15418 1/20 0.53
GSK3B P49841 2/20 0.46
PRKACA P17612 1/20 0.46

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
SCHEMBL4718236 0.84 RPS6KA5 (0.63) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4714498 0.84 RPS6KA5 (0.72) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL6648964 0.83 RPS6KA5 (0.72) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4720590 0.83 RPS6KA5 (0.62) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4719806 0.83 RPS6KB1 (0.74) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
Hydrochloric Acid SCHEMBL4717066 0.83 RPS6KA5 (0.71) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4718574 0.83 RPS6KA5 (0.69) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4717079 0.81 RPS6KA5 (0.68) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4760668 0.80 RPS6KA5 (0.64) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2
SCHEMBL4717257 0.80 RPS6KA5 (0.64) RPS6KA5DYRK1ARPS6KB1ROCK1CDK2

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