SCHEMBL24464148

SCHEMBL24464148

N=Cc1cc(Nc2ccnc(-c3cccc(C(=O)NC4CC[S+]([O-])CC4)c3)n2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 14/20 0.53
▸ ROCK1 Q13464 10/20 0.53
▸ CCNE1 P24864 4/20 0.40
▸ CDK2 P24941 4/20 0.40
▸ MAP4K4 O95819 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
SCHEMBL24464193 0.89 ROCK2 (0.66) ROCK2ROCK1CCNE1CDK2
SCHEMBL21451348 0.89 ROCK2 (0.67) ROCK2ROCK1CCNE1CDK2
SCHEMBL17038115 0.87 ROCK2 (0.67) ROCK2ROCK1CCNE1CDK2
SCHEMBL24464173 0.83 NPC1 (0.50) ROCK2ROCK1
SCHEMBL24464163 0.82 ROCK2 (0.53) ROCK2ROCK1CCNE1CDK2
SCHEMBL24862335 0.80 KDR (0.44) ROCK2ROCK1
SCHEMBL24464147 0.79 ROCK1 (0.57) ROCK2ROCK1
SCHEMBL24464164 0.78 ROCK2 (0.49) ROCK2ROCK1MAP4K4
SCHEMBL24353607 0.78 ROCK2 (0.67) ROCK2ROCK1
SCHEMBL24464180 0.78 ROCK2 (0.48) 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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