SCHEMBL31065752

SCHEMBL31065752

Cc1nc(C2CC2c2ccc(C(=O)NC3C[C@H]4COC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2Cl)c2ccsc2n1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.35
SUV39H2 Q9H5I1 1/20 0.32
HDAC4 P56524 3/20 0.32
HDAC6 Q9UBN7 2/20 0.31
PTK2 Q05397 1/20 0.31
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
DGAT2 Q96PD7 2/20 0.31
USP30 Q70CQ3 1/20 0.30
HTR3A P46098 1/20 0.30
CHRM1 P11229 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
SCHEMBL31065781 0.84 MEN1 (0.34) DGAT2USP30
SCHEMBL31065807 0.81 CSNK2A1 (0.34) PTK2
SCHEMBL31065782 0.79
SCHEMBL31065793 0.78 CSNK2A1 (0.35)
SCHEMBL31065787 0.76 MEN1 (0.35) PTK2
SCHEMBL31065745 0.76
SCHEMBL31065763 0.75 USP30 (0.47) GPR119USP30
SCHEMBL31065762 0.74 AURKA (0.30)
SCHEMBL31065779 0.74 MEN1 (0.32) PTK2
SCHEMBL31065773 0.74 SUV39H2 (0.34) GPR119SUV39H2CHRM1

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