SCHEMBL31065756

SCHEMBL31065756

Cc1nc([C@@H]2C[C@H]2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4)cc2F)c2ccsc2n1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PLD3 Q8IV08 1/20 0.32
ITK Q08881 1/20 0.32
USP30 Q70CQ3 1/20 0.32
GPR142 Q7Z601 2/20 0.31
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL31065800 1.00 PLD3 (0.32) PLD3ITKUSP30GPR142TLR9
SCHEMBL31065783 0.90 PLD3 (0.32) PLD3ITKGPR142KDM4ESMN1; SMN2
SCHEMBL31065775 0.90 PLD3 (0.32) PLD3ITKGPR142KDM4ESMN1; SMN2
SCHEMBL31065780 0.90 PLD3 (0.32) PLD3ITKGPR142KDM4ESMN1; SMN2
SCHEMBL31065761 0.86 PLD3 (0.35) PLD3KDM4ESMN1; SMN2
SCHEMBL31065776 0.83 GPR119 (0.32) PLD3USP30
SCHEMBL30968034 0.75 OPRM1 (0.32)
SCHEMBL30968100 0.75 PTAFR (0.35) GPR142
SCHEMBL30968042 0.75 PTAFR (0.35) GPR142
SCHEMBL30968132 0.75 PTAFR (0.35) GPR142

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