SCHEMBL31065753

SCHEMBL31065753

Cc1nc(C2CC2c2ccc3c(c2)nc(C2C[C@H]4CC[C@@H](C2)N4C(=O)OC(C)(C)C)n3C)c2ccsc2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
JAK1 P23458 2/20 0.30
JAK2 O60674 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
USP7 Q93009 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
SCHEMBL31065759 1.00 KAT2B (0.33) KAT2BCHRM2CHRM1CHRM3JAK1
SCHEMBL30968078 0.75 CHRM2 (0.43) KAT2BCHRM2CHRM1CHRM3JAK1
SCHEMBL31065773 0.73 SUV39H2 (0.34) KAT2BCHRM2CHRM1CHRM3JAK1
SCHEMBL31065776 0.72 GPR119 (0.32) CHRM2CHRM1CHRM3JAK1JAK2
SCHEMBL31065750 0.71 GPR119 (0.32) GPR119
SCHEMBL31065748 0.70 USP30 (0.32) CHRM2CHRM1CHRM3GPR119
SCHEMBL30968050 0.70 USP30 (0.38) CHRM2CHRM1CHRM3GPR119USP7
SCHEMBL31424049 0.68 KDM4E (0.44) JAK1JAK2GPR119USP7
SCHEMBL31065797 0.65 SMN1; SMN2 (0.40)
SCHEMBL31065802 0.65 SMN1; SMN2 (0.40)

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