SCHEMBL29677841

SCHEMBL29677841

Cc1cncc2cccc(S(=O)(=O)N3CCCNCC3C)c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 12/20 1.00
ROCK1 Q13464 11/20 1.00
PRKACA P17612 5/20 1.00
PRKCD Q05655 5/20 1.00
PRKD3 O94806 4/20 1.00
PRKCZ Q05513 4/20 1.00
PRKACG P22612 4/20 1.00
PRKACB P22694 4/20 1.00
PKN2 Q16513 3/20 1.00
AURKB Q96GD4 3/20 1.00
PRKD2 Q9BZL6 3/20 1.00
PLK4 O00444 2/20 1.00
MARK3 P27448 2/20 1.00
PRKAA1 Q13131 2/20 1.00
MARK2 Q7KZI7 2/20 1.00
MAP4K4 O95819 2/20 1.00
CHEK2 O96017 2/20 1.00
AKT1 P31749 2/20 1.00
PRKX P51817 2/20 1.00
CDK5 Q00535 2/20 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
SCHEMBL29372951 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL6969527 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL226317 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL30069136 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL29378010 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
SCHEMBL124161 1.00 ROCK2 (1.00) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2456059 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL507871 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL2461354 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3
Hydrochloric Acid SCHEMBL29781011 0.99 ROCK2 (0.98) ROCK2ROCK1PRKACAPRKCDPRKD3

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
US-20250090544-A1 ANTIPSYCHOTIC AND USE THEREOF NATIONAL UNIVERSITY CORPORATION TOKAI NATIONAL HIGHER EDUCATION AND RESEARCH SYSTEM (JP) 2025-03-20 US disclosed
EP-4274578-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR Incyte Corporation (US) 2023-11-15 EP disclosed
WO-2022150676-A1 COMBINATION THERAPY COMPRISING JAK PATHWAY INHIBITOR AND ROCK INHIBITOR INCYTE CORPORATION (US) 2022-07-14 WO disclosed