SCHEMBL24464180

SCHEMBL24464180

N=Cc1cc(Nc2ccnc(-c3cccc(SCC(=O)NC4CC4)c3)n2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 15/20 0.48
▸ ROCK1 Q13464 11/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL24353607 0.85 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL24464164 0.85 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL22166450 0.83 ROCK2 (0.48) ROCK2ROCK1KMT2A
SCHEMBL17038101 0.82 ROCK2 (0.68) ROCK2ROCK1
SCHEMBL15639589 0.80 ROCK2 (0.74) ROCK2ROCK1
SCHEMBL24464193 0.79 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL21451348 0.79 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL20661284 0.79 ROCK2 (0.71) ROCK2ROCK1
SCHEMBL24464174 0.79 ROCK2 (0.49) ROCK2ROCK1HPGD
SCHEMBL24464148 0.78 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 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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