SCHEMBL31065757

SCHEMBL31065757

CCN(C(=O)c1ccc(C2CC2c2nc(C)nc3sccc23)c(F)c1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
GPR119 Q8TDV5 11/20 0.33
CHRM1 P11229 2/20 0.31
USP30 Q70CQ3 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
SCHEMBL31065776 0.91 GPR119 (0.32) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31065750 0.84 GPR119 (0.32) GPR119USP30
SCHEMBL31065748 0.83 USP30 (0.32) GPR119CHRM1USP30
SCHEMBL31065798 0.77 JAK2 (0.35) JAK2JAK1TYK2JAK3GPR119
SCHEMBL31065796 0.74 USP30 (0.35) USP30
SCHEMBL31065800 0.73 PLD3 (0.32) USP30
SCHEMBL31065756 0.73 PLD3 (0.32) USP30
SCHEMBL31065763 0.72 USP30 (0.47) GPR119USP30
SCHEMBL31065773 0.72 SUV39H2 (0.34) JAK1GPR119CHRM1
SCHEMBL30968050 0.71 USP30 (0.38) GPR119CHRM1USP30

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