SCHEMBL24464197

SCHEMBL24464197

Cc1nc(-c2cccc(OCC(=O)NC3CC3)c2)nc(Nc2ccc(N)c(C=N)c2)c1C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 11/20 0.68
▸ ROCK1 Q13464 9/20 0.68
▸ SLC2A1 P11166 7/20 0.49
▸ SLC2A3 P11169 7/20 0.49
▸ HPGD P15428 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL20661283 0.89 ROCK2 (0.69) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24464196 0.88 ROCK2 (0.68) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL17038104 0.86 ROCK2 (0.70) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24353608 0.84 ROCK2 (0.72) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24353607 0.83 ROCK2 (0.67) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL17038107 0.81 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL17038101 0.81 ROCK2 (0.68) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24464191 0.79 ROCK2 (0.55) ROCK2ROCK1SLC2A1SLC2A3HPGD
SCHEMBL24862352 0.79 ROCK2 (0.55) ROCK2ROCK1SLC2A1SLC2A3HPGD
SCHEMBL17038110 0.79 ROCK2 (1.00) ROCK2ROCK1SLC2A1SLC2A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903618-B1 RHO KINASE INHIBITORS KADMON CORP LLC (US) 2022-06-01 — — EP disclosed
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