SCHEMBL31065778

SCHEMBL31065778

CCC12CCC(CC(NC(=O)c3ccc(C4CC4c4nc(C)nc5sccc45)c(Cl)c3)C1)N2C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTK2 Q05397 1/20 0.32
PAK4 O96013 2/20 0.31
OPRK1 P41145 1/20 0.30
DRD2 P14416 1/20 0.30
DRD3 P35462 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
SCHEMBL31065799 0.95 MEN1 (0.32) MEN1KMT2APTK2OPRK1
SCHEMBL31065787 0.90 MEN1 (0.35) MEN1KMT2APTK2PAK4OPRK1
SCHEMBL31065779 0.88 MEN1 (0.32) MEN1KMT2APTK2
SCHEMBL31065788 0.87 PTK2 (0.33) MEN1KMT2APTK2
SCHEMBL31065790 0.86 PLD3 (0.30)
SCHEMBL31065807 0.82 CSNK2A1 (0.34) MEN1KMT2APTK2
SCHEMBL31065769 0.79
SCHEMBL31065793 0.77 CSNK2A1 (0.35)
SCHEMBL31065781 0.75 MEN1 (0.34) MEN1KMT2ADRD2DRD3
SCHEMBL31065752 0.74 GPR119 (0.35) PTK2

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-2024131942-A1 CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海深势唯思科技有限责任公司 2024-06-27 WO disclosed