SCHEMBL649688

SCHEMBL649688

COCCNCc1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
ROCK2 O75116 7/20 0.46
ROCK1 Q13464 5/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.44
RAD52 P43351 1/20 0.44
PAX8 Q06710 1/20 0.44
CLK4 Q9HAZ1 3/20 0.43
RPS6KB1 P23443 3/20 0.43
GSK3A P49840 2/20 0.43
GSK3B P49841 2/20 0.43
PRKG1 Q13976 2/20 0.43
PRKACA P17612 2/20 0.43
PRKX P51817 2/20 0.43
PRKG2 Q13237 2/20 0.43
SGK2 Q9HBY8 2/20 0.43
CSNK2A1 P68400 2/20 0.43
AURKA O14965 1/20 0.43
DYRK3 O43781 1/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL28046317 0.81 ROCK2 (0.46) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL5135764 0.81 MAPK1 (0.53) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL28762520 0.78 MAPK1 (0.47) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL30245866 0.77 ROCK2 (0.61) MAPK1ROCK2ROCK1CLK4GSK3A
SCHEMBL25290117 0.77 ROCK2 (0.61) MAPK1ROCK2ROCK1CLK4GSK3A
SCHEMBL20628903 0.77 ROCK2 (0.53) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL13605404 0.77 MAPK1 (0.58) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL23022915 0.75 ROCK2 (0.56) MAPK1ROCK2ROCK1CLK4RPS6KB1
SCHEMBL10210705 0.74 MAPK1 (0.62) MAPK1ROCK2ROCK1MAOBCLK4
SCHEMBL269208 0.74 MAPK1 (0.55) MAPK1ROCK2ROCK1MAOBCLK4

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-8119665-B2 Aryl imidazoles and related compounds as C5a receptor modulators NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2012-02-21 US disclosed