SCHEMBL24464191

SCHEMBL24464191

Cc1cnc(-c2cc(F)cc(OCC(=O)NC3CC3)c2)nc1Nc1ccc(N)c(C=N)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 10/20 0.55
▸ ROCK1 Q13464 9/20 0.55
▸ LMNA P02545 1/20 0.40
▸ SLC2A1 P11166 6/20 0.39
▸ SLC2A3 P11169 6/20 0.39
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL24862352 0.91 ROCK2 (0.55) ROCK2ROCK1SLC2A1SLC2A3MEN1
SCHEMBL20661283 0.89 ROCK2 (0.69) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL17038104 0.87 ROCK2 (0.70) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24464172 0.87 ROCK2 (0.52) ROCK2ROCK1LMNASLC2A1SLC2A3
SCHEMBL24464169 0.85 ROCK2 (0.53) ROCK2ROCK1LMNAHPGDHTT
SCHEMBL24353608 0.85 ROCK2 (0.72) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL15639228 0.82 ROCK2 (0.80) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL24464197 0.79 ROCK2 (0.68) ROCK2ROCK1SLC2A1SLC2A3HPGD
SCHEMBL24862354 0.77 ROCK2 (0.69) ROCK2ROCK1SLC2A1SLC2A3
SCHEMBL17038099 0.75 ROCK2 (0.70) 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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