SCHEMBL6032480

SCHEMBL6032480

COCCN(CCOC)[C@H]1CCc2nc(NC(=O)c3cccc(Cn4cc(-c5ccc(N)cc5)nn4)c3)sc2C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.49
▸ CD74 P04233 1/20 0.45
▸ MIF P14174 1/20 0.45

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
SCHEMBL2728620 0.92 ROCK2 (0.58) ROCK2
SCHEMBL2728616 0.92 ROCK2 (0.58) ROCK2
SCHEMBL6031918 0.89 ROCK2 (0.53) ROCK2
SCHEMBL6032831 0.89 ROCK2 (0.51) ROCK2
SCHEMBL6032908 0.86 ROCK2 (0.49) ROCK2
SCHEMBL6031649 0.86 ROCK2 (0.50) ROCK2
SCHEMBL2725268 0.86 ROCK2 (0.66) ROCK2
SCHEMBL2728359 0.86 ROCK2 (0.66) ROCK2
SCHEMBL2725266 0.86 ROCK2 (0.66) ROCK2
SCHEMBL6030813 0.85 ROCK2 (0.54) ROCK2

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
WO-2012054367-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 — — WO disclosed
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