SCHEMBL10474385

SCHEMBL10474385

CCn1cc(C(=O)NO)c(=O)c2ccc(-c3ccncc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.52
CDK1 P06493 4/20 0.52
PRKACA P17612 4/20 0.52
CDK2 P24941 4/20 0.52
CSNK1D P48730 4/20 0.52
GSK3A P49840 4/20 0.52
CDK5 Q00535 4/20 0.52
PRKCD Q05655 4/20 0.52
ROCK1 Q13464 4/20 0.52
CDC42BPA Q5VT25 4/20 0.52
MARK2 Q7KZI7 3/20 0.52
DYRK3 O43781 3/20 0.52
RPS6KA5 O75582 3/20 0.52
PRKD3 O94806 3/20 0.52
MAP4K4 O95819 3/20 0.52
CLK2 P49760 3/20 0.52
GSK3B P49841 3/20 0.52
IRAK1 P51617 3/20 0.52
RPS6KA3 P51812 3/20 0.52
PRKX P51817 3/20 0.52

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
SCHEMBL10475303 0.91 ROCK2 (0.63) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL10474604 0.91 ROCK2 (0.52) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL11655148 0.90 CAPN1 (0.50) ROCK2CDK1PRKACACDK2CSNK1D
Rosoxacin SCHEMBL135645 0.87 CAPN1 (0.61) ROCK2CDK1PRKACACDK2CSNK1D
Rosoxacin SCHEMBL29361483 0.87 CAPN1 (0.61) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL10474600 0.86 CAPN1 (0.62) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL11652572 0.81 ROCK2 (0.48) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL5195646 0.80 CAPN1 (0.47) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL10474587 0.79 CNR1 (0.54) ROCK2CDK1PRKACACDK2CSNK1D
SCHEMBL10475298 0.78 CAPN1 (0.59) ROCK2CDK1PRKACACDK2CSNK1D

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-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 US disclosed