SCHEMBL24616970

SCHEMBL24616970

CNC(=O)c1cccc(C(C)n2cc(CCO)c3cc(-c4cn[nH]c4Cl)ccc3c2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.36
TNIK Q9UKE5 1/20 0.36
TAF1 P21675 1/20 0.35
ROCK1 Q13464 3/20 0.34
METAP2 P50579 2/20 0.34
CECR2 Q9BXF3 1/20 0.34
MAPK1 P28482 1/20 0.34
BRD4 O60885 2/20 0.33
DGAT2 Q96PD7 1/20 0.32
ADORA1 P30542 1/20 0.32
HAT1 O14929 2/20 0.32
EP300 Q09472 2/20 0.32
KCNH2 Q12809 1/20 0.32
PAK1 Q13153 1/20 0.32

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
SCHEMBL29778503 1.00 ROCK2 (0.36) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL24617461 0.92 METAP2 (0.36) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL29778457 0.92 METAP2 (0.36) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL29778659 0.91 TAF1 (0.35) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL24616964 0.91 TAF1 (0.35) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL29778460 0.89 TAF1 (0.34) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL29135989 0.89 TAF1 (0.34) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL24616960 0.89 METAP2 (0.35) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL29778502 0.89 METAP2 (0.35) ROCK2TNIKTAF1ROCK1METAP2
SCHEMBL24617031 0.83 ROCK2 (0.37) ROCK2TNIKTAF1ROCK1METAP2

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