SCHEMBL30968008

SCHEMBL30968008

Cc1ncc2c(n1)c(C)nn2C1CC1c1ccc(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.34
AURKA O14965 4/20 0.33
CDK2 P24941 4/20 0.33
SPR P35270 1/20 0.33
USP30 Q70CQ3 1/20 0.33
SUV39H2 Q9H5I1 1/20 0.32
CCNA2 P20248 3/20 0.32
TTK P33981 3/20 0.32
GPR142 Q7Z601 3/20 0.32
NR3C1 P04150 2/20 0.31
RET P07949 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL30968073 1.00 GPR119 (0.34) GPR119AURKACDK2SPRUSP30
SCHEMBL30968072 0.84 GPR142 (0.36) SPRGPR142
SCHEMBL30968085 0.78 SLC22A12 (0.40)
SCHEMBL31065803 0.76 USP30 (0.38) GPR119SPRUSP30SUV39H2
SCHEMBL30968142 0.76 USP30 (0.38) GPR119SPRUSP30SUV39H2
SCHEMBL30968006 0.76 GPR119 (0.36) GPR119AURKACDK2USP30SUV39H2
SCHEMBL31065774 0.76 GPR119 (0.36) GPR119AURKACDK2USP30SUV39H2
SCHEMBL31065785 0.75 USP30 (0.39) GPR119USP30SUV39H2
SCHEMBL30968109 0.75 USP30 (0.39) GPR119USP30SUV39H2
SCHEMBL30968064 0.69 CHRM1 (0.43) GPR119USP30HDAC1

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 2 patents. 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
CN-118239959-A Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-06-25 CN disclosed