SCHEMBL24616943

SCHEMBL24616943

CNC(=O)c1cccc(Cn2ccc3cc(-c4cnoc4)ccc3c2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 1/20 0.47
EGLN1 Q9GZT9 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 1/20 0.39
GRM2 Q14416 1/20 0.39
FEN1 P39748 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRK2 P25098 1/20 0.38
BRD4 O60885 3/20 0.37
BRD2 P25440 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
CDK8 P49336 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL30656545 1.00 ROCK2 (0.47) ROCK2ROCK1EGLN1YTHDC1HSP90AB1
SCHEMBL29779044 0.85 HSP90AB1 (0.57) ROCK2ROCK1EGLN1YTHDC1HSP90AB1
SCHEMBL24616910 0.85 HSP90AB1 (0.57) ROCK2ROCK1EGLN1YTHDC1HSP90AB1
SCHEMBL24616951 0.85 ROCK2 (0.47) ROCK2ROCK1EGLN1YTHDC1MAPK1
SCHEMBL24616949 0.84 ROCK2 (0.43) ROCK2ROCK1EGLN1YTHDC1MAPK1
SCHEMBL24617245 0.84 ROCK2 (0.42) ROCK2ROCK1EGLN1YTHDC1HSP90AB1
SCHEMBL29778420 0.84 WNT1 (0.51) ROCK2ROCK1EGLN1YTHDC1GRM2
SCHEMBL29778991 0.84 ROCK2 (0.55) ROCK2ROCK1EGLN1YTHDC1MAPK1
SCHEMBL24616901 0.84 ROCK2 (0.55) ROCK2ROCK1EGLN1YTHDC1MAPK1
SCHEMBL29135953 0.84 WNT1 (0.51) ROCK2ROCK1EGLN1YTHDC1GRM2

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 3 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 claimed
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