SCHEMBL17164503

SCHEMBL17164503

O=C(COc1cccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)c1)NC1CCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 1.00
▸ ROCK1 Q13464 13/20 1.00

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
SCHEMBL17040775 1.00 ROCK2 (1.00) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29575984 0.99 ROCK2 (0.98) ROCK2ROCK1
Hydrochloric Acid SCHEMBL17025865 0.99 ROCK2 (0.98) ROCK2ROCK1
SCHEMBL17038100 0.92 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL17041184 0.91 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1724078 0.84 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL1724986 0.84 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL1724076 0.84 ROCK2 (0.72) ROCK2ROCK1
SCHEMBL15639833 0.84 ROCK2 (0.85) ROCK2ROCK1
SCHEMBL32670211 0.84 ROCK2 (0.85) 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 6 patents. 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
CN-113773308-A RHO kinase inhibitors 卡德门企业有限公司 2021-12-10 — — CN disclosed
CN-113637008-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-12 — — CN disclosed
CN-113637007-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-12 — — CN disclosed
CN-113620933-A RHO kinase inhibitors 卡德门企业有限公司 2021-11-09 — — CN disclosed
WO-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 — — WO disclosed
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