SCHEMBL24323283

SCHEMBL24323283

Cc1cccc(C(C)C)c1-c1cc(Cl)nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
HSP90AA1 P07900 3/20 0.36
HSP90AB1 P08238 3/20 0.36
LCK P06239 3/20 0.32
MAPK1 P28482 1/20 0.31
NLRP3 Q96P20 1/20 0.30

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
SCHEMBL29600537 1.00 LMNA (0.37) LMNAHSP90AA1HSP90AB1LCKMAPK1
SCHEMBL22502015 0.90 HSP90AA1 (0.41) HSP90AA1HSP90AB1LCK
SCHEMBL22501987 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1LCK
SCHEMBL31546947 0.85 HSP90AA1 (0.39) HSP90AA1HSP90AB1LCK
SCHEMBL24309477 0.84 HSP90AA1 (0.36) LMNAHSP90AA1HSP90AB1
SCHEMBL29566720 0.84 HSP90AA1 (0.36) LMNAHSP90AA1HSP90AB1
SCHEMBL22502018 0.83 HSP90AA1 (0.36) HSP90AA1HSP90AB1LCK
SCHEMBL24330502 0.81 C5AR1 (0.31) LMNALCK
SCHEMBL29515265 0.81 C5AR1 (0.31) LMNALCK
SCHEMBL24299011 0.81 HSP90AA1 (0.38) LMNAHSP90AA1HSP90AB1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed