SCHEMBL31065780

SCHEMBL31065780

Cc1nc([C@H]2C[C@@H]2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4)cc2Cl)c2ccsc2n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLD3 Q8IV08 1/20 0.32
GPR142 Q7Z601 2/20 0.31
ITK Q08881 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
SCHEMBL31065775 1.00 PLD3 (0.32) PLD3GPR142ITKKDM4ESMN1; SMN2
SCHEMBL31065783 1.00 PLD3 (0.32) PLD3GPR142ITKKDM4ESMN1; SMN2
SCHEMBL31065800 0.90 PLD3 (0.32) PLD3GPR142ITKKDM4ESMN1; SMN2
SCHEMBL31065756 0.90 PLD3 (0.32) PLD3GPR142ITKKDM4ESMN1; SMN2
SCHEMBL31065761 0.86 PLD3 (0.35) PLD3KDM4ESMN1; SMN2
SCHEMBL30968132 0.85 PTAFR (0.35) GPR142
SCHEMBL30968042 0.85 PTAFR (0.35) GPR142
SCHEMBL30968100 0.85 PTAFR (0.35) GPR142
SCHEMBL31065809 0.83 PLD3 (0.32) PLD3GPR142KDM4ESMN1; SMN2
SCHEMBL30968105 0.83 POLB (0.32) 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