SCHEMBL24617035

SCHEMBL24617035

CNC(=O)c1cc(F)cc(Cn2ccc3cc(-c4cn[nH]c4Cl)ccc3c2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
MAPK1 P28482 1/20 0.39
EGLN1 Q9GZT9 1/20 0.37
METAP2 P50579 1/20 0.36
GRM2 Q14416 1/20 0.35
KLKB1 P03952 1/20 0.34
MAP4K1 Q92918 1/20 0.34
WDR5 P61964 2/20 0.34
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
STAT6 P42226 1/20 0.33
PARP1 P09874 1/20 0.33
TNIK Q9UKE5 1/20 0.33
BRD4 O60885 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRK2 P25098 1/20 0.33

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
SCHEMBL29778487 1.00 ROCK2 (0.42) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL29778373 0.89 ROCK2 (0.41) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL29135939 0.89 ROCK2 (0.41) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL24617619 0.89 ROCK2 (0.41) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL29778498 0.88 ROCK2 (0.51) ROCK2ROCK1MAPK1EGLN1GRM2
SCHEMBL24617030 0.88 ROCK2 (0.51) ROCK2ROCK1MAPK1EGLN1GRM2
SCHEMBL29778459 0.83 ROCK2 (0.39) ROCK2ROCK1MAPK1METAP2GRM2
SCHEMBL24617616 0.83 MAPK1 (0.40) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL24616945 0.81 ROCK2 (0.51) ROCK2ROCK1MAPK1EGLN1METAP2
SCHEMBL29778415 0.81 ROCK2 (0.51) ROCK2ROCK1MAPK1EGLN1METAP2

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