SCHEMBL31065807

SCHEMBL31065807

Cc1nc(C2CC2c2ccc(C(=O)NC3CCC4CCC(C3)N4C(=O)O)cc2Cl)c2ccsc2n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DCK P27707 4/20 0.33
BRD4 O60885 1/20 0.33
ADRA2A P08913 2/20 0.33
MCHR1 Q99705 2/20 0.33
PTK2 Q05397 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL31065809 0.84 PLD3 (0.32)
SCHEMBL31065787 0.84 MEN1 (0.35) CSNK2A1MEN1KMT2ABRD4PTK2
SCHEMBL31065799 0.82 MEN1 (0.32) MEN1KMT2APTK2
SCHEMBL31065778 0.82 MEN1 (0.32) MEN1KMT2APTK2
SCHEMBL31065779 0.82 MEN1 (0.32) MEN1KMT2APTK2
SCHEMBL31065793 0.82 CSNK2A1 (0.35) CSNK2A1
SCHEMBL31065752 0.81 GPR119 (0.35) PTK2
SCHEMBL31065788 0.81 PTK2 (0.33) MEN1KMT2APTK2
SCHEMBL31065781 0.76 MEN1 (0.34) MEN1KMT2A
SCHEMBL30968070 0.71 SPR (0.33) CSNK2A1

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