SCHEMBL20145449

SCHEMBL20145449

Cc1cnccc1-c1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 10/20 0.69
ROCK2 O75116 3/20 0.54
ROCK1 Q13464 2/20 0.54
MAP4K4 O95819 2/20 0.54
AKT1 P31749 2/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKCG P05129 1/20 0.54
PRKACA P17612 1/20 0.54
RPS6KB1 P23443 1/20 0.54
GSK3A P49840 1/20 0.54
GSK3B P49841 1/20 0.54
PRKX P51817 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKG2 Q13237 1/20 0.54
DYRK1A Q13627 1/20 0.54
PRKG1 Q13976 1/20 0.54
PKN2 Q16513 1/20 0.54
CDC42BPA Q5VT25 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
SGK2 Q9HBY8 1/20 0.54

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
SCHEMBL20145620 0.87 MAPK1 (0.70) MAPK1ROCK2ROCK1MAP4K4AKT1
SCHEMBL20145756 0.86 MAPK1 (0.72) MAPK1
SCHEMBL16679599 0.82 MAPK1 (1.00) MAPK1ROCK2ROCK1MAP4K4AKT1
SCHEMBL20145745 0.82 MAPK1 (0.90) MAPK1ROCK2ROCK1MAP4K4AKT1
SCHEMBL19813035 0.82 MAPK1 (1.00) MAPK1ROCK2ROCK1MAP4K4AKT1
SCHEMBL19822287 0.77 MAPK1 (0.70) MAPK1ROCK1MAP4K4AKT1RPS6KA5
SCHEMBL20145670 0.74 MAPK1 (0.60) MAPK1MAP4K4EGFRCHEK2
SCHEMBL20145655 0.73 MAPK1 (0.72) MAPK1
SCHEMBL16680028 0.73 MAPK1 (1.00) MAPK1
SCHEMBL19813071 0.73 MAPK1 (1.00) MAPK1

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-3063143-B1 AMINOHETEROARYL BENZAMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2018-05-16 EP disclosed