SCHEMBL30163118

SCHEMBL30163118

COc1cc(-c2nnc(Nc3ccc4[nH]ncc4c3Cl)o2)ccc1OCC(=O)NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.41
▸ ROCK1 Q13464 7/20 0.38
▸ QPCT Q16769 1/20 0.38
▸ ROCK2 O75116 5/20 0.38
▸ TP53 P04637 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ BLK P51451 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ STK3 Q13188 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL24934071 1.00 ACHE (0.41) ACHEROCK1QPCTROCK2TP53
SCHEMBL30162929 0.86 ROCK2 (0.39) ROCK1ROCK2TP53SMN1; SMN2MAPT
SCHEMBL29218243 0.86 ROCK2 (0.39) ROCK1ROCK2TP53SMN1; SMN2MAPT
SCHEMBL24934078 0.85 POLB (0.40) ROCK1ROCK2TP53SMN1; SMN2MAPT
SCHEMBL21217759 0.84 ROCK2 (0.42) ROCK1ROCK2SMN1; SMN2CLK2BLK
SCHEMBL21217512 0.82 ROCK2 (0.41) ROCK1ROCK2SMN1; SMN2CLK2BLK
SCHEMBL21217515 0.82 ROCK2 (0.40) ROCK1ROCK2SMN1; SMN2CLK2BLK
SCHEMBL22966767 0.80 ROCK2 (0.41) ROCK1ROCK2SMN1; SMN2MEN1MAPT
SCHEMBL21218005 0.80 ROCK2 (0.40) ROCK1ROCK2SMN1; SMN2CLK2BLK
SCHEMBL29218276 0.79 SLC2A1 (0.49) ACHEROCK1QPCTROCK2TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 — — EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 — — CN disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 — — WO disclosed
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