Sugi Predict

Sugi Predict / Compounds / SCHEMBL24094330

SCHEMBL24094330

SCHEMBL24094330

CC1CC(c2nnc(Nc3ccc4[nH]nc(C5OCC5NC(=O)COC5=CC=C(c6nnc(Nc7ccc8[nH]ncc8c7)[nH]6)CC5)c4c3)[nH]2)=CC=C1OCC(=O)NC1CCC1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.41
▸ ROCK1 Q13464 10/20 0.40
▸ SLC2A1 P11166 3/20 0.32
▸ SLC2A3 P11169 3/20 0.32
▸ PDPK1 O15530 1/20 0.31

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
SCHEMBL21217864 0.89 ROCK2 (0.42) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL21217529 0.83 ROCK2 (0.51) ROCK2ROCK1
SCHEMBL24610385 0.82 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL24610411 0.81 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL24610266 0.79 ROCK2 (0.47) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL21217766 0.79 CDK4 (0.33) ROCK2ROCK1
SCHEMBL21217793 0.78 ROCK2 (0.43) ROCK2ROCK1
SCHEMBL24094355 0.76 ROCK1 (0.48) ROCK2ROCK1
SCHEMBL24094396 0.76 ROCK2 (0.53) ROCK2ROCK1
SCHEMBL21217790 0.76 ROCK2 (0.53) ROCK2ROCK1

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
EP-4026834-A1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE Redx Pharma Plc (GB) 2022-07-13 — — EP disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 — — EP disclosed
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