SCHEMBL31065776

SCHEMBL31065776

Cc1nc(C2CC2c2ccc(C(=O)N(C)C3C[C@H]4CC[C@@H](C3)N4C(=O)OC(C)(C)C)cc2F)c2ccsc2n1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.32
USP30 Q70CQ3 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PLD3 Q8IV08 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
SCHEMBL31065748 0.92 USP30 (0.32) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL31065757 0.91 JAK2 (0.34) GPR119USP30JAK2JAK1TYK2
SCHEMBL31065750 0.91 GPR119 (0.32) GPR119USP30PLD3
SCHEMBL31065800 0.83 PLD3 (0.32) USP30PLD3
SCHEMBL31065756 0.83 PLD3 (0.32) USP30PLD3
SCHEMBL31065796 0.82 USP30 (0.35) USP30
SCHEMBL30968050 0.80 USP30 (0.38) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL31065751 0.80 USP30 (0.34) GPR119USP30CHRM2CHRM1CHRM3
SCHEMBL31065763 0.79 USP30 (0.47) GPR119USP30
SCHEMBL30968142 0.78 USP30 (0.38) GPR119USP30CHRM2CHRM1CHRM3

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