SCHEMBL9617879

SCHEMBL9617879

N[C@H]1CC[C@@H](C(=O)Nc2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.67
ROCK1 Q13464 4/20 0.67
PKN2 Q16513 3/20 0.67
RPS6KA5 O75582 2/20 0.67
LRRK2 Q5S007 2/20 0.67
TP53 P04637 2/20 0.67
CYP3A4 P08684 2/20 0.67
CHUK O15111 1/20 0.67
PRKD3 O94806 1/20 0.67
CDK1 P06493 1/20 0.67
CDK2 P24941 1/20 0.67
LTK P29376 1/20 0.67
CDK8 P49336 1/20 0.67
PRKX P51817 1/20 0.67
CDK5 Q00535 1/20 0.67
PRKCQ Q04759 1/20 0.67
PRKCD Q05655 1/20 0.67
STK3 Q13188 1/20 0.67
PRKG2 Q13237 1/20 0.67
CDC42BPA Q5VT25 1/20 0.67

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
SCHEMBL1553557 1.00 ROCK2 (0.67) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL1553555 1.00 ROCK2 (0.67) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL30828553 0.91 ROCK2 (0.76) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL7520976 0.91 ROCK2 (0.76) ROCK2ROCK1PKN2RPS6KA5LRRK2
Hydrochloric Acid SCHEMBL27545321 0.90 ROCK2 (0.73) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL13972700 0.87 GLA (0.86) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL30828597 0.85 ACVRL1 (0.72) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL22273261 0.84 ROCK2 (0.63) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL29129855 0.83 ROCK2 (0.70) ROCK2ROCK1PKN2RPS6KA5LRRK2
SCHEMBL29129852 0.83 ROCK2 (0.70) ROCK2ROCK1PKN2RPS6KA5LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4273821-A None JP disclosed
JP-H04273821-A ASTHMA THERAPEUTIC DRUG YOSHITOMI PHARMACEUT IND LTD 1992-09-30 JP disclosed