SCHEMBL30744182

SCHEMBL30744182

NCC(C(=O)Nc1ccc2cn[nH]c2c1)c1ccc(CO)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.66
▸ ROCK1 Q13464 5/20 0.66
▸ MYLK4 Q86YV6 2/20 0.66
▸ CDC7 O00311 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ DCLK1 O15075 1/20 0.51
▸ MAPK13 O15264 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ DAPK3 O43293 1/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ RPS6KA5 O75582 1/20 0.51
▸ PRKD3 O94806 1/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ PAK4 O96013 1/20 0.51
▸ CHEK2 O96017 1/20 0.51
▸ PRKCG P05129 1/20 0.51
▸ FYN P06241 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ ROS1 P08922 1/20 0.51

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
SCHEMBL23501404 1.00 ROCK2 (0.66) ROCK2ROCK1MYLK4CDC7PLK4
SCHEMBL23501309 0.81 ROCK2 (0.45) ROCK2ROCK1MYLK4MAPK1CLK2
SCHEMBL30744203 0.81 ROCK2 (0.45) ROCK2ROCK1MYLK4MAPK1CLK2
Netarsudil-M1 SCHEMBL30692376 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL21412824 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607241 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL9883166 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL21430354 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607238 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4
Netarsudil-M1 SCHEMBL30607237 0.79 ROCK2 (1.00) ROCK2ROCK1MYLK4

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
CN-112979675-B Small molecular sulfur-containing heterocyclic compound 维眸生物科技(上海)有限公司 2023-12-19 — — CN disclosed
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