SCHEMBL13633467

SCHEMBL13633467

CCN1CCC(Nc2cccc3cnccc23)C1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 20/20 0.75
ROCK1 Q13464 10/20 0.75
CCR2 P41597 8/20 0.72

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
SCHEMBL13633528 0.91 ROCK2 (0.87) ROCK2ROCK1CCR2
SCHEMBL4478921 0.86 ROCK2 (0.89) ROCK2ROCK1CCR2
SCHEMBL1717168 0.86 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL2801887 0.85 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659829 0.85 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL2804271 0.85 ROCK2 (0.77) ROCK2ROCK1CCR2
SCHEMBL2804267 0.85 ROCK2 (0.77) ROCK2ROCK1CCR2
SCHEMBL659769 0.85 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659795 0.85 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL659770 0.85 ROCK2 (1.00) ROCK2ROCK1CCR2

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
US-7615564-B2 Isoquinoline derivatives having kinasae inhibitory activity and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed