SCHEMBL31065787

SCHEMBL31065787

Cc1nc(C2CC2c2ccc(C(=O)NC3CC4CCC(C)(C3)N4C(=O)O)cc2Cl)c2ccsc2n1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PTK2 Q05397 1/20 0.32
PAK4 O96013 2/20 0.32
CSNK2A1 P68400 1/20 0.30
EZH2 Q15910 1/20 0.30
BRD4 O60885 1/20 0.30
OPRK1 P41145 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
SCHEMBL31065779 0.90 MEN1 (0.32) MEN1KMT2APTK2
SCHEMBL31065778 0.90 MEN1 (0.32) MEN1KMT2APTK2PAK4OPRK1
SCHEMBL31065799 0.90 MEN1 (0.32) MEN1KMT2APTK2OPRK1
SCHEMBL31065788 0.88 PTK2 (0.33) MEN1KMT2APTK2
SCHEMBL31065807 0.84 CSNK2A1 (0.34) MEN1KMT2APTK2CSNK2A1BRD4
SCHEMBL31065781 0.81 MEN1 (0.34) MEN1KMT2AEZH2
SCHEMBL31065793 0.78 CSNK2A1 (0.35) CSNK2A1
SCHEMBL31065790 0.77 PLD3 (0.30)
SCHEMBL31065752 0.76 GPR119 (0.35) PTK2
SCHEMBL31065769 0.75

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