SCHEMBL31065773

SCHEMBL31065773

Cc1nc(C2CC2c2cc3cn(C4C[C@H]5CC[C@@H](C4)N5C(=O)OC(C)(C)C)nc3cc2Cl)c2ccsc2n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
JAK1 P23458 1/20 0.31
GPR119 Q8TDV5 2/20 0.31
IRAK4 Q9NWZ3 2/20 0.31
RET P07949 1/20 0.31
CCR5 P51681 2/20 0.30
KAT2B Q92831 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
SCHEMBL30968032 0.76 CHRM2 (0.43) SUV39H2CHRM2CHRM1CHRM3JAK1
SCHEMBL31065752 0.74 GPR119 (0.35) SUV39H2CHRM1GPR119
SCHEMBL31065759 0.73 KAT2B (0.33) CHRM2CHRM1CHRM3JAK1GPR119
SCHEMBL31065753 0.73 KAT2B (0.33) CHRM2CHRM1CHRM3JAK1GPR119
SCHEMBL31065776 0.73 GPR119 (0.32) CHRM2CHRM1CHRM3JAK1GPR119
SCHEMBL31065748 0.72 USP30 (0.32) CHRM2CHRM1CHRM3GPR119
SCHEMBL31065750 0.72 GPR119 (0.32) GPR119
SCHEMBL31065757 0.72 JAK2 (0.34) CHRM1JAK1GPR119
SCHEMBL30968014 0.68 TLR8 (0.42) IRAK4
SCHEMBL31424049 0.65 KDM4E (0.44) JAK1GPR119

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