SCHEMBL24616901

SCHEMBL24616901

CNC(=O)c1cccc(Cn2ccc3cc(-c4cn[nH]c4)ccc3c2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.55
ROCK1 Q13464 4/20 0.55
GRK2 P25098 9/20 0.54
GRK1 Q15835 2/20 0.48
GRK5 P34947 2/20 0.47
AURKA O14965 2/20 0.47
RPS6KA1 Q15418 2/20 0.47
PRKCB P05771 1/20 0.47
AKT1 P31749 1/20 0.47
GRK6 P43250 1/20 0.47
CAMK2B Q13554 1/20 0.47
GRK7 Q8WTQ7 1/20 0.47
PDPK1 O15530 1/20 0.47
MAPK1 P28482 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
GRM2 Q14416 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41

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
SCHEMBL29778991 1.00 ROCK2 (0.55) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL24617168 0.91 ROCK2 (0.54) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL29136094 0.89 ROCK1 (0.56) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL29778921 0.89 ROCK1 (0.56) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL24617050 0.89 GRK2 (0.62) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL24617068 0.89 PDPK1 (0.53) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL30656480 0.89 GRK2 (0.62) ROCK2ROCK1GRK2GRK1GRK5
SCHEMBL24616900 0.85 ROCK2 (0.46) ROCK2ROCK1GRK2PDPK1MAPK1
SCHEMBL24616951 0.85 ROCK2 (0.47) ROCK2ROCK1GRK2AURKAMAPK1
SCHEMBL29135966 0.85 GRK2 (0.69) ROCK2ROCK1GRK2GRK1GRK5

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
CN-117136186-A Selective inhibitors of ROCK1 and ROCK2 protein kinases and uses thereof 盖诺斯克公司 2023-11-28 CN disclosed
WO-2022150381-A1 SELECTIVE INHIBITORS OF ROCK1 AND ROCK2 PROTEIN KINASES AND USES THEREOF Genosco Inc. (US) 2022-07-14 WO disclosed